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

C11H17ClN4O — CID 80969834

IUPAC2-[(6-chloro-5-methyl-2-propan-2-ylpyrimidin-4-yl)amino]propanamide
SMILESCc1c(Cl)nc(C(C)C)nc1NC(C)C(N)=O
InChIInChI=1S/C11H17ClN4O/c1-5(2)10-15-8(12)6(3)11(16-10)14-7(4)9(13)17/h5,7H,1-4H3,(H2,13,17)(H,14,15,16)
InChIKeyJYDMPKXFIYNKBE-UHFFFAOYSA-N
MW256.74 g/mol
LogP1.85
Rot. Bonds4

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

2-[(6-chloro-5-methyl-2-propan-2-ylpyrimidin-4-yl)amino]propanamide (PubChem CID 80969834) has the molecular formula C11H17ClN4O and a molecular weight of 256.74 g/mol. Its IUPAC name is 2-[(6-chloro-5-methyl-2-propan-2-ylpyrimidin-4-yl)amino]propanamide.

Molecular Properties

Compound Name2-[(6-chloro-5-methyl-2-propan-2-ylpyrimidin-4-yl)amino]propanamide
PubChem CID80969834
Molecular FormulaC11H17ClN4O
Molecular Weight256.74 g/mol
Exact Mass256.11
IUPAC Name2-[(6-chloro-5-methyl-2-propan-2-ylpyrimidin-4-yl)amino]propanamide
SMILESCc1c(Cl)nc(C(C)C)nc1NC(C)C(N)=O
InChIInChI=1S/C11H17ClN4O/c1-5(2)10-15-8(12)6(3)11(16-10)14-7(4)9(13)17/h5,7H,1-4H3,(H2,13,17)(H,14,15,16)
InChIKeyJYDMPKXFIYNKBE-UHFFFAOYSA-N
XLogP1.85
TPSA80.90 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.74
LogP ≤ 51.85
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

6-chloro-5-methyl-N-(3-methylbutan-2-yl)-2-propan-2-ylpyrimidin-4-amine
CID 80973311
methyl 2-[(6-amino-5-methyl-2-propan-2-ylpyrimidin-4-yl)amino]propanoate
CID 80987605
6-chloro-5-methyl-N-(3-methylpentan-2-yl)-2-propan-2-ylpyrimidin-4-amine
CID 80971108
4-[(6-chloro-5-methyl-2-propan-2-ylpyrimidin-4-yl)amino]pentan-1-ol
CID 80978575
2-[(6-amino-2,5-dimethylpyrimidin-4-yl)amino]propanamide
CID 80788095
2-[(6-amino-5-methyl-2-propan-2-ylpyrimidin-4-yl)amino]-3-methylbutanamide
CID 106347539
6-chloro-N-(2,2-dimethylpropyl)-5-methyl-2-propan-2-ylpyrimidin-4-amine
CID 80970249
6-chloro-5-methyl-N-(2-methylpropyl)-2-propan-2-ylpyrimidin-4-amine
CID 80970598
6-chloro-5-methyl-N-[1-(5-methyl-1,3-oxazol-2-yl)ethyl]-2-propan-2-ylpyrimidin-4-amine
CID 106389477
6-chloro-N-[1-(4-fluorophenyl)ethyl]-5-methyl-2-propan-2-ylpyrimidin-4-amine
CID 80979435
6-chloro-5-methyl-N-(2-methylprop-2-enyl)-2-propan-2-ylpyrimidin-4-amine
CID 106196742
4-[(6-chloro-5-methyl-2-propan-2-ylpyrimidin-4-yl)amino]butan-1-ol
CID 106842904

Frequently Asked Questions

What is the IUPAC name of 2-[(6-chloro-5-methyl-2-propan-2-ylpyrimidin-4-yl)amino]propanamide?
The IUPAC name of 2-[(6-chloro-5-methyl-2-propan-2-ylpyrimidin-4-yl)amino]propanamide (CID 80969834) is 2-[(6-chloro-5-methyl-2-propan-2-ylpyrimidin-4-yl)amino]propanamide.
What is the SMILES notation for 2-[(6-chloro-5-methyl-2-propan-2-ylpyrimidin-4-yl)amino]propanamide?
The canonical SMILES for 2-[(6-chloro-5-methyl-2-propan-2-ylpyrimidin-4-yl)amino]propanamide is Cc1c(Cl)nc(C(C)C)nc1NC(C)C(N)=O.
What is the InChIKey of 2-[(6-chloro-5-methyl-2-propan-2-ylpyrimidin-4-yl)amino]propanamide?
The InChIKey is JYDMPKXFIYNKBE-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17ClN4O/c1-5(2)10-15-8(12)6(3)11(16-10)14-7(4)9(13)17/h5,7H,1-4H3,(H2,13,17)(H,14,15,16).
What are the key properties of 2-[(6-chloro-5-methyl-2-propan-2-ylpyrimidin-4-yl)amino]propanamide?
2-[(6-chloro-5-methyl-2-propan-2-ylpyrimidin-4-yl)amino]propanamide has a molecular weight of 256.74 g/mol, XLogP of 1.85, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(6-chloro-5-methyl-2-propan-2-ylpyrimidin-4-yl)amino]propanamide is sourced from PubChem (CID 80969834), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).