4-[(6-amino-5-methyl-2-propan-2-ylpyrimidin-4-yl)amino]butanamide

C12H21N5O — CID 80993947

IUPAC4-[(6-amino-5-methyl-2-propan-2-ylpyrimidin-4-yl)amino]butanamide
SMILESCc1c(N)nc(C(C)C)nc1NCCCC(N)=O
InChIInChI=1S/C12H21N5O/c1-7(2)11-16-10(14)8(3)12(17-11)15-6-4-5-9(13)18/h7H,4-6H2,1-3H3,(H2,13,18)(H3,14,15,16,17)
InChIKeyOVMBMPANIQRRHX-UHFFFAOYSA-N
MW251.33 g/mol
LogP1.17
Rot. Bonds6

About 4-[(6-amino-5-methyl-2-propan-2-ylpyrimidin-4-yl)amino]butanamide

4-[(6-amino-5-methyl-2-propan-2-ylpyrimidin-4-yl)amino]butanamide (PubChem CID 80993947) has the molecular formula C12H21N5O and a molecular weight of 251.33 g/mol. Its IUPAC name is 4-[(6-amino-5-methyl-2-propan-2-ylpyrimidin-4-yl)amino]butanamide.

Molecular Properties

Compound Name4-[(6-amino-5-methyl-2-propan-2-ylpyrimidin-4-yl)amino]butanamide
PubChem CID80993947
Molecular FormulaC12H21N5O
Molecular Weight251.33 g/mol
Exact Mass251.17
IUPAC Name4-[(6-amino-5-methyl-2-propan-2-ylpyrimidin-4-yl)amino]butanamide
SMILESCc1c(N)nc(C(C)C)nc1NCCCC(N)=O
InChIInChI=1S/C12H21N5O/c1-7(2)11-16-10(14)8(3)12(17-11)15-6-4-5-9(13)18/h7H,4-6H2,1-3H3,(H2,13,18)(H3,14,15,16,17)
InChIKeyOVMBMPANIQRRHX-UHFFFAOYSA-N
XLogP1.17
TPSA106.92 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.33
LogP ≤ 51.17
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

ethyl 4-[(6-amino-5-methyl-2-propan-2-ylpyrimidin-4-yl)amino]butanoate
CID 80984350
5-[(6-amino-5-methyl-2-propan-2-ylpyrimidin-4-yl)amino]pentan-2-ol
CID 114148682
3-[(6-amino-5-methyl-2-propan-2-ylpyrimidin-4-yl)amino]-N-methylpropanamide
CID 80983114
4-[(6-amino-5-methyl-2-propan-2-ylpyrimidin-4-yl)amino]butan-2-ol
CID 80991783
5-[(6-amino-2,5-dimethylpyrimidin-4-yl)amino]pentanamide
CID 106241669
4-[(6-amino-5-methyl-2-propylpyrimidin-4-yl)amino]butanamide
CID 80994095
2-[(6-amino-5-methyl-2-propan-2-ylpyrimidin-4-yl)amino]-N-methylethanesulfonamide
CID 106343135
4-N-(2-ethoxyethyl)-5-methyl-2-propan-2-ylpyrimidine-4,6-diamine
CID 80994078
4-N-(4-imidazol-1-ylbutyl)-5-methyl-2-propan-2-ylpyrimidine-4,6-diamine
CID 80984374
methyl 2-[(6-amino-5-methyl-2-propan-2-ylpyrimidin-4-yl)amino]propanoate
CID 80987605
2-[(6-amino-5-methyl-2-propan-2-ylpyrimidin-4-yl)amino]-3-methylbutanamide
CID 106347539
5-methyl-2-propan-2-yl-4-N-(2-pyrrolidin-1-ylethyl)pyrimidine-4,6-diamine
CID 80982944

Frequently Asked Questions

What is the IUPAC name of 4-[(6-amino-5-methyl-2-propan-2-ylpyrimidin-4-yl)amino]butanamide?
The IUPAC name of 4-[(6-amino-5-methyl-2-propan-2-ylpyrimidin-4-yl)amino]butanamide (CID 80993947) is 4-[(6-amino-5-methyl-2-propan-2-ylpyrimidin-4-yl)amino]butanamide.
What is the SMILES notation for 4-[(6-amino-5-methyl-2-propan-2-ylpyrimidin-4-yl)amino]butanamide?
The canonical SMILES for 4-[(6-amino-5-methyl-2-propan-2-ylpyrimidin-4-yl)amino]butanamide is Cc1c(N)nc(C(C)C)nc1NCCCC(N)=O.
What is the InChIKey of 4-[(6-amino-5-methyl-2-propan-2-ylpyrimidin-4-yl)amino]butanamide?
The InChIKey is OVMBMPANIQRRHX-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H21N5O/c1-7(2)11-16-10(14)8(3)12(17-11)15-6-4-5-9(13)18/h7H,4-6H2,1-3H3,(H2,13,18)(H3,14,15,16,17).
What are the key properties of 4-[(6-amino-5-methyl-2-propan-2-ylpyrimidin-4-yl)amino]butanamide?
4-[(6-amino-5-methyl-2-propan-2-ylpyrimidin-4-yl)amino]butanamide has a molecular weight of 251.33 g/mol, XLogP of 1.17, 6 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(6-amino-5-methyl-2-propan-2-ylpyrimidin-4-yl)amino]butanamide is sourced from PubChem (CID 80993947), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).