2-[(6-amino-5-methyl-2-propan-2-ylpyrimidin-4-yl)amino]-3-methylbutanamide

C13H23N5O — CID 106347539

IUPAC2-[(6-amino-5-methyl-2-propan-2-ylpyrimidin-4-yl)amino]-3-methylbutanamide
SMILESCc1c(N)nc(C(C)C)nc1NC(C(N)=O)C(C)C
InChIInChI=1S/C13H23N5O/c1-6(2)9(11(15)19)16-13-8(5)10(14)17-12(18-13)7(3)4/h6-7,9H,1-5H3,(H2,15,19)(H3,14,16,17,18)
InChIKeyDGJSOXCASMGHEL-UHFFFAOYSA-N
MW265.36 g/mol
LogP1.41
Rot. Bonds5

About 2-[(6-amino-5-methyl-2-propan-2-ylpyrimidin-4-yl)amino]-3-methylbutanamide

2-[(6-amino-5-methyl-2-propan-2-ylpyrimidin-4-yl)amino]-3-methylbutanamide (PubChem CID 106347539) has the molecular formula C13H23N5O and a molecular weight of 265.36 g/mol. Its IUPAC name is 2-[(6-amino-5-methyl-2-propan-2-ylpyrimidin-4-yl)amino]-3-methylbutanamide.

Molecular Properties

Compound Name2-[(6-amino-5-methyl-2-propan-2-ylpyrimidin-4-yl)amino]-3-methylbutanamide
PubChem CID106347539
Molecular FormulaC13H23N5O
Molecular Weight265.36 g/mol
Exact Mass265.19
IUPAC Name2-[(6-amino-5-methyl-2-propan-2-ylpyrimidin-4-yl)amino]-3-methylbutanamide
SMILESCc1c(N)nc(C(C)C)nc1NC(C(N)=O)C(C)C
InChIInChI=1S/C13H23N5O/c1-6(2)9(11(15)19)16-13-8(5)10(14)17-12(18-13)7(3)4/h6-7,9H,1-5H3,(H2,15,19)(H3,14,16,17,18)
InChIKeyDGJSOXCASMGHEL-UHFFFAOYSA-N
XLogP1.41
TPSA106.92 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.36
LogP ≤ 51.41
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Related Compounds

methyl 2-[(6-amino-5-methyl-2-propan-2-ylpyrimidin-4-yl)amino]propanoate
CID 80987605
4-[(6-amino-5-methyl-2-propan-2-ylpyrimidin-4-yl)amino]butanamide
CID 80993947
2-[(6-amino-2,5-dimethylpyrimidin-4-yl)amino]propanamide
CID 80788095
2-[(6-chloro-5-methyl-2-propan-2-ylpyrimidin-4-yl)amino]propanamide
CID 80969834
2-[(3-amino-6-methyl-2-pyridinyl)amino]-3-methylbutanamide
CID 106343886
2-[(2-tert-butyl-6-hydrazinyl-5-methylpyrimidin-4-yl)amino]-3-methylbutanamide
CID 106347652
4-N-tert-butyl-5-methyl-2-propan-2-ylpyrimidine-4,6-diamine
CID 80976699
3-[(6-amino-5-methyl-2-propan-2-ylpyrimidin-4-yl)amino]-N-methylpropanamide
CID 80983114
3-methyl-2-[[5-methyl-6-(methylamino)-2-propylpyrimidin-4-yl]amino]butanamide
CID 106347482
5-methyl-2-propan-2-yl-4-N-(1-pyridin-4-ylethyl)pyrimidine-4,6-diamine
CID 80994228
4-[(6-amino-5-methyl-2-propan-2-ylpyrimidin-4-yl)amino]butan-2-ol
CID 80991783
ethyl 4-[(6-amino-5-methyl-2-propan-2-ylpyrimidin-4-yl)amino]butanoate
CID 80984350

Frequently Asked Questions

What is the IUPAC name of 2-[(6-amino-5-methyl-2-propan-2-ylpyrimidin-4-yl)amino]-3-methylbutanamide?
The IUPAC name of 2-[(6-amino-5-methyl-2-propan-2-ylpyrimidin-4-yl)amino]-3-methylbutanamide (CID 106347539) is 2-[(6-amino-5-methyl-2-propan-2-ylpyrimidin-4-yl)amino]-3-methylbutanamide.
What is the SMILES notation for 2-[(6-amino-5-methyl-2-propan-2-ylpyrimidin-4-yl)amino]-3-methylbutanamide?
The canonical SMILES for 2-[(6-amino-5-methyl-2-propan-2-ylpyrimidin-4-yl)amino]-3-methylbutanamide is Cc1c(N)nc(C(C)C)nc1NC(C(N)=O)C(C)C.
What is the InChIKey of 2-[(6-amino-5-methyl-2-propan-2-ylpyrimidin-4-yl)amino]-3-methylbutanamide?
The InChIKey is DGJSOXCASMGHEL-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H23N5O/c1-6(2)9(11(15)19)16-13-8(5)10(14)17-12(18-13)7(3)4/h6-7,9H,1-5H3,(H2,15,19)(H3,14,16,17,18).
What are the key properties of 2-[(6-amino-5-methyl-2-propan-2-ylpyrimidin-4-yl)amino]-3-methylbutanamide?
2-[(6-amino-5-methyl-2-propan-2-ylpyrimidin-4-yl)amino]-3-methylbutanamide has a molecular weight of 265.36 g/mol, XLogP of 1.41, 5 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(6-amino-5-methyl-2-propan-2-ylpyrimidin-4-yl)amino]-3-methylbutanamide is sourced from PubChem (CID 106347539), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).