2-[(4-methylpyrimidin-2-yl)amino]propanamide

C8H12N4O — CID 62959080

IUPAC2-[(4-methylpyrimidin-2-yl)amino]propanamide
SMILESCc1ccnc(NC(C)C(N)=O)n1
InChIInChI=1S/C8H12N4O/c1-5-3-4-10-8(11-5)12-6(2)7(9)13/h3-4,6H,1-2H3,(H2,9,13)(H,10,11,12)
InChIKeyPSTSYGFEPFGONB-UHFFFAOYSA-N
MW180.21 g/mol
LogP0.07
Rot. Bonds3

About 2-[(4-methylpyrimidin-2-yl)amino]propanamide

2-[(4-methylpyrimidin-2-yl)amino]propanamide (PubChem CID 62959080) has the molecular formula C8H12N4O and a molecular weight of 180.21 g/mol. Its IUPAC name is 2-[(4-methylpyrimidin-2-yl)amino]propanamide.

Molecular Properties

Compound Name2-[(4-methylpyrimidin-2-yl)amino]propanamide
PubChem CID62959080
Molecular FormulaC8H12N4O
Molecular Weight180.21 g/mol
Exact Mass180.10
IUPAC Name2-[(4-methylpyrimidin-2-yl)amino]propanamide
SMILESCc1ccnc(NC(C)C(N)=O)n1
InChIInChI=1S/C8H12N4O/c1-5-3-4-10-8(11-5)12-6(2)7(9)13/h3-4,6H,1-2H3,(H2,9,13)(H,10,11,12)
InChIKeyPSTSYGFEPFGONB-UHFFFAOYSA-N
XLogP0.07
TPSA80.90 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500180.21
LogP ≤ 50.07
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

4-methyl-N-[1-(4-methylphenyl)ethyl]pyrimidin-2-amine
CID 62958041
methyl 2-[(4-methylpyrimidin-2-yl)amino]-2-phenylacetate
CID 55133777
2-[(2-chloropyrimidin-4-yl)amino]propanamide
CID 62343252
1-[(4-methylpyrimidin-2-yl)amino]-1-phenylpropan-2-one
CID 70811148
1-N'-(4-methylpyrimidin-2-yl)ethene-1,1-diamine
CID 139390411
4-methyl-N-(1-methylsulfanylpropan-2-yl)pyrimidin-2-amine
CID 115637582
N-but-3-en-2-yl-4-methylpyrimidin-2-amine
CID 115691968
(2R)-2,4-dimethyl-N-(4-methylpyrimidin-2-yl)pent-4-enamide
CID 99842138
4-methyl-3-[(4-methylpyrimidin-2-yl)amino]pentan-1-ol
CID 103703910
2-[(4-methylpyrimidin-2-yl)amino]hexanoic acid
CID 62959796
N-benzhydryl-4-methylpyrimidin-2-amine
CID 62958031
4-methyl-N-[1-(5-methyl-1,3-oxazol-2-yl)ethyl]pyrimidin-2-amine
CID 103946633

Frequently Asked Questions

What is the IUPAC name of 2-[(4-methylpyrimidin-2-yl)amino]propanamide?
The IUPAC name of 2-[(4-methylpyrimidin-2-yl)amino]propanamide (CID 62959080) is 2-[(4-methylpyrimidin-2-yl)amino]propanamide.
What is the SMILES notation for 2-[(4-methylpyrimidin-2-yl)amino]propanamide?
The canonical SMILES for 2-[(4-methylpyrimidin-2-yl)amino]propanamide is Cc1ccnc(NC(C)C(N)=O)n1.
What is the InChIKey of 2-[(4-methylpyrimidin-2-yl)amino]propanamide?
The InChIKey is PSTSYGFEPFGONB-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H12N4O/c1-5-3-4-10-8(11-5)12-6(2)7(9)13/h3-4,6H,1-2H3,(H2,9,13)(H,10,11,12).
What are the key properties of 2-[(4-methylpyrimidin-2-yl)amino]propanamide?
2-[(4-methylpyrimidin-2-yl)amino]propanamide has a molecular weight of 180.21 g/mol, XLogP of 0.07, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(4-methylpyrimidin-2-yl)amino]propanamide is sourced from PubChem (CID 62959080), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).