2-methyl-N-(6-oxo-9-propan-2-yl-4,5-dihydro-1H-purin-2-yl)propanamide;2-methyl-N-(2-oxo-1-propan-2-ylpyrimidin-4-yl)propanamide;N-(9-propan-2-ylpurin-6-yl)acetamide

C33H49N13O5 — CID 160877234

IUPAC2-methyl-N-(6-oxo-9-propan-2-yl-4,5-dihydro-1H-purin-2-yl)propanamide;2-methyl-N-(2-oxo-1-propan-2-ylpyrimidin-4-yl)propanamide;N-(9-propan-2-ylpurin-6-yl)acetamide
SMILESCC(=O)Nc1ncnc2c1ncn2C(C)C.CC(C)C(=O)NC1=NC2C(N=CN2C(C)C)C(=O)N1.CC(C)C(=O)Nc1ccn(C(C)C)c(=O)n1
InChIInChI=1S/C12H19N5O2.C11H17N3O2.C10H13N5O/c1-6(2)10(18)15-12-14-9-8(11(19)16-12)13-5-17(9)7(3)4;1-7(2)10(15)12-9-5-6-14(8(3)4)11(16)13-9;1-6(2)15-5-13-8-9(14-7(3)16)11-4-12-10(8)15/h5-9H,1-4H3,(H2,14,15,16,18,19);5-8H,1-4H3,(H,12,13,15,16);4-6H,1-3H3,(H,11,12,14,16)
InChIKeySMODQKNHPBDYAK-UHFFFAOYSA-N
MW707.84 g/mol
LogP2.48
Rot. Bonds7

About 2-methyl-N-(6-oxo-9-propan-2-yl-4,5-dihydro-1H-purin-2-yl)propanamide;2-methyl-N-(2-oxo-1-propan-2-ylpyrimidin-4-yl)propanamide;N-(9-propan-2-ylpurin-6-yl)acetamide

2-methyl-N-(6-oxo-9-propan-2-yl-4,5-dihydro-1H-purin-2-yl)propanamide;2-methyl-N-(2-oxo-1-propan-2-ylpyrimidin-4-yl)propanamide;N-(9-propan-2-ylpurin-6-yl)acetamide (PubChem CID 160877234) has the molecular formula C33H49N13O5 and a molecular weight of 707.84 g/mol. Its IUPAC name is 2-methyl-N-(6-oxo-9-propan-2-yl-4,5-dihydro-1H-purin-2-yl)propanamide;2-methyl-N-(2-oxo-1-propan-2-ylpyrimidin-4-yl)propanamide;N-(9-propan-2-ylpurin-6-yl)acetamide.

Molecular Properties

Compound Name2-methyl-N-(6-oxo-9-propan-2-yl-4,5-dihydro-1H-purin-2-yl)propanamide;2-methyl-N-(2-oxo-1-propan-2-ylpyrimidin-4-yl)propanamide;N-(9-propan-2-ylpurin-6-yl)acetamide
PubChem CID160877234
Molecular FormulaC33H49N13O5
Molecular Weight707.84 g/mol
Exact Mass707.40
IUPAC Name2-methyl-N-(6-oxo-9-propan-2-yl-4,5-dihydro-1H-purin-2-yl)propanamide;2-methyl-N-(2-oxo-1-propan-2-ylpyrimidin-4-yl)propanamide;N-(9-propan-2-ylpurin-6-yl)acetamide
SMILESCC(=O)Nc1ncnc2c1ncn2C(C)C.CC(C)C(=O)NC1=NC2C(N=CN2C(C)C)C(=O)N1.CC(C)C(=O)Nc1ccn(C(C)C)c(=O)n1
InChIInChI=1S/C12H19N5O2.C11H17N3O2.C10H13N5O/c1-6(2)10(18)15-12-14-9-8(11(19)16-12)13-5-17(9)7(3)4;1-7(2)10(15)12-9-5-6-14(8(3)4)11(16)13-9;1-6(2)15-5-13-8-9(14-7(3)16)11-4-12-10(8)15/h5-9H,1-4H3,(H2,14,15,16,18,19);5-8H,1-4H3,(H,12,13,15,16);4-6H,1-3H3,(H,11,12,14,16)
InChIKeySMODQKNHPBDYAK-UHFFFAOYSA-N
XLogP2.48
TPSA222.85 Ų
H-Bond Donors4
H-Bond Acceptors14
Rotatable Bonds7
Heavy Atoms51
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500707.84
LogP ≤ 52.48
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 1014

Analyze 2-methyl-N-(6-oxo-9-propan-2-yl-4,5-dihydro-1H-purin-2-yl)propanamide;2-methyl-N-(2-oxo-1-propan-2-ylpyrimidin-4-yl)propanamide;N-(9-propan-2-ylpurin-6-yl)acetamide with MolForge

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Related Compounds

N-(9-ethyl-6-oxo-4,5-dihydro-1H-purin-2-yl)-2-methylpropanamide
CID 59085380
1-propan-2-yl-4-[[(2Z,4Z)-6-[(9-propan-2-ylpurin-6-yl)amino]hexa-2,4-dienyl]amino]pyrimidin-2-one
CID 138643447
9H-fluoren-9-ylmethyl N-(6-oxo-9-propan-2-yl-1H-purin-2-yl)carbamate;9H-fluoren-9-ylmethyl N-(2-oxo-1-propan-2-ylpyrimidin-4-yl)carbamate;9H-fluoren-9-ylmethyl N-(9-propan-2-ylpurin-6-yl)carbamate
CID 161456477
2-(benzylamino)-9-propan-2-yl-1H-purin-6-one;4-(benzylamino)-1-propan-2-ylpyrimidin-2-one;N-benzyl-9-propan-2-ylpurin-6-amine
CID 158643822
N-[1-(1-hydroxy-2-methylpropyl)-2-oxopyrimidin-4-yl]acetamide
CID 123374621
N-[9-(2-chloroethyl)purin-6-yl]-2-methylpropanamide
CID 10934447
(2E)-N-(9-propan-2-ylpurin-6-yl)-2-[(Z)-prop-1-enyl]penta-2,4-dienamide
CID 145408612
6-azido-9-propan-2-ylpurine;4-azido-1-propan-2-ylpyrimidin-2-one;2-methyl-9-propan-2-yl-1H-purin-6-one
CID 159062016
N-[1-[(2R,4R,5R)-3,3-difluoro-4-hydroxy-5-(hydroxymethyl)oxolan-2-yl]-2-oxopyrimidin-4-yl]-2-methylpropanamide
CID 155928654
6-ethoxy-2-methyl-9-propan-2-ylpurine;6-ethoxy-9-propan-2-ylpurin-2-amine;2-methylidene-1-propan-2-ylpyrimidin-4-amine;N-(2-oxo-1-propan-2-ylpyrimidin-4-yl)acetamide;1-propan-2-ylpyrimidine-2,4-dione
CID 161186702
N-methyl-7-propan-2-ylpyrrolo[2,3-d]pyrimidin-4-amine
CID 142359850
N-[1-[(2S,4S,5S)-4-hydroxy-5-(hydroxymethyl)oxolan-2-yl]-2-oxopyrimidin-4-yl]-2-methylpropanamide
CID 7282363

Frequently Asked Questions

What is the IUPAC name of 2-methyl-N-(6-oxo-9-propan-2-yl-4,5-dihydro-1H-purin-2-yl)propanamide;2-methyl-N-(2-oxo-1-propan-2-ylpyrimidin-4-yl)propanamide;N-(9-propan-2-ylpurin-6-yl)acetamide?
The IUPAC name of 2-methyl-N-(6-oxo-9-propan-2-yl-4,5-dihydro-1H-purin-2-yl)propanamide;2-methyl-N-(2-oxo-1-propan-2-ylpyrimidin-4-yl)propanamide;N-(9-propan-2-ylpurin-6-yl)acetamide (CID 160877234) is 2-methyl-N-(6-oxo-9-propan-2-yl-4,5-dihydro-1H-purin-2-yl)propanamide;2-methyl-N-(2-oxo-1-propan-2-ylpyrimidin-4-yl)propanamide;N-(9-propan-2-ylpurin-6-yl)acetamide.
What is the SMILES notation for 2-methyl-N-(6-oxo-9-propan-2-yl-4,5-dihydro-1H-purin-2-yl)propanamide;2-methyl-N-(2-oxo-1-propan-2-ylpyrimidin-4-yl)propanamide;N-(9-propan-2-ylpurin-6-yl)acetamide?
The canonical SMILES for 2-methyl-N-(6-oxo-9-propan-2-yl-4,5-dihydro-1H-purin-2-yl)propanamide;2-methyl-N-(2-oxo-1-propan-2-ylpyrimidin-4-yl)propanamide;N-(9-propan-2-ylpurin-6-yl)acetamide is CC(=O)Nc1ncnc2c1ncn2C(C)C.CC(C)C(=O)NC1=NC2C(N=CN2C(C)C)C(=O)N1.CC(C)C(=O)Nc1ccn(C(C)C)c(=O)n1.
What is the InChIKey of 2-methyl-N-(6-oxo-9-propan-2-yl-4,5-dihydro-1H-purin-2-yl)propanamide;2-methyl-N-(2-oxo-1-propan-2-ylpyrimidin-4-yl)propanamide;N-(9-propan-2-ylpurin-6-yl)acetamide?
The InChIKey is SMODQKNHPBDYAK-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19N5O2.C11H17N3O2.C10H13N5O/c1-6(2)10(18)15-12-14-9-8(11(19)16-12)13-5-17(9)7(3)4;1-7(2)10(15)12-9-5-6-14(8(3)4)11(16)13-9;1-6(2)15-5-13-8-9(14-7(3)16)11-4-12-10(8)15/h5-9H,1-4H3,(H2,14,15,16,18,19);5-8H,1-4H3,(H,12,13,15,16);4-6H,1-3H3,(H,11,12,14,16).
What are the key properties of 2-methyl-N-(6-oxo-9-propan-2-yl-4,5-dihydro-1H-purin-2-yl)propanamide;2-methyl-N-(2-oxo-1-propan-2-ylpyrimidin-4-yl)propanamide;N-(9-propan-2-ylpurin-6-yl)acetamide?
2-methyl-N-(6-oxo-9-propan-2-yl-4,5-dihydro-1H-purin-2-yl)propanamide;2-methyl-N-(2-oxo-1-propan-2-ylpyrimidin-4-yl)propanamide;N-(9-propan-2-ylpurin-6-yl)acetamide has a molecular weight of 707.84 g/mol, XLogP of 2.48, 7 rotatable bonds, 4 hydrogen bond donors, and 14 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-N-(6-oxo-9-propan-2-yl-4,5-dihydro-1H-purin-2-yl)propanamide;2-methyl-N-(2-oxo-1-propan-2-ylpyrimidin-4-yl)propanamide;N-(9-propan-2-ylpurin-6-yl)acetamide is sourced from PubChem (CID 160877234), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).