3-amino-3-(2-methylpyrimidin-4-yl)propanamide

C8H12N4O — CID 115527138

IUPAC3-amino-3-(2-methylpyrimidin-4-yl)propanamide
SMILESCc1nccc(C(N)CC(N)=O)n1
InChIInChI=1S/C8H12N4O/c1-5-11-3-2-7(12-5)6(9)4-8(10)13/h2-3,6H,4,9H2,1H3,(H2,10,13)
InChIKeySDYNZERQHTZKCW-UHFFFAOYSA-N
MW180.21 g/mol
LogP-0.34
Rot. Bonds3

About 3-amino-3-(2-methylpyrimidin-4-yl)propanamide

3-amino-3-(2-methylpyrimidin-4-yl)propanamide (PubChem CID 115527138) has the molecular formula C8H12N4O and a molecular weight of 180.21 g/mol. Its IUPAC name is 3-amino-3-(2-methylpyrimidin-4-yl)propanamide.

Molecular Properties

Compound Name3-amino-3-(2-methylpyrimidin-4-yl)propanamide
PubChem CID115527138
Molecular FormulaC8H12N4O
Molecular Weight180.21 g/mol
Exact Mass180.10
IUPAC Name3-amino-3-(2-methylpyrimidin-4-yl)propanamide
SMILESCc1nccc(C(N)CC(N)=O)n1
InChIInChI=1S/C8H12N4O/c1-5-11-3-2-7(12-5)6(9)4-8(10)13/h2-3,6H,4,9H2,1H3,(H2,10,13)
InChIKeySDYNZERQHTZKCW-UHFFFAOYSA-N
XLogP-0.34
TPSA94.89 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 ≤ 5-0.34
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

beta-(2-Amino-pyrimidin-4-yl)alanine
CID 146037259
N-(2-{[4-(3,3,3-Trifluoropropyl)pyrimidin-2-YL]amino}ethyl)acetamide
CID 56917547
N-methyl-3-(6-methyl-2-pyrrolidin-2-ylpyrimidin-4-yl)propanamide
CID 73440067
N-methyl-3-(6-methyl-2-piperidin-2-ylpyrimidin-4-yl)propanamide
CID 110256780
N,N-dimethyl-3-(6-methyl-2-piperidin-2-ylpyrimidin-4-yl)propanamide
CID 110256781
3-[2-(6-Amino-2-methylpyrimidin-4-yl)azetidin-1-yl]propanamide
CID 110271697
N-methyl-3-[2-methyl-6-(1-methylpiperidin-2-yl)pyrimidin-4-yl]propanamide
CID 118739828
(1-Pyrimidin-4-ylethyl)amine
CID 21481538
1-(2-Methylpyrimidin-4-yl)ethan-1-amine
CID 82418546
4-(2-Methylpyrimidin-4-yl)pyrrolidin-2-one
CID 115529931
3-(2-Aminopyrimidin-4-yl)-2-azaniumylpropanoate
CID 25203094
2-(Pyrimidin-4-yl)acetamide
CID 67050464

Frequently Asked Questions

What is the IUPAC name of 3-amino-3-(2-methylpyrimidin-4-yl)propanamide?
The IUPAC name of 3-amino-3-(2-methylpyrimidin-4-yl)propanamide (CID 115527138) is 3-amino-3-(2-methylpyrimidin-4-yl)propanamide.
What is the SMILES notation for 3-amino-3-(2-methylpyrimidin-4-yl)propanamide?
The canonical SMILES for 3-amino-3-(2-methylpyrimidin-4-yl)propanamide is Cc1nccc(C(N)CC(N)=O)n1.
What is the InChIKey of 3-amino-3-(2-methylpyrimidin-4-yl)propanamide?
The InChIKey is SDYNZERQHTZKCW-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H12N4O/c1-5-11-3-2-7(12-5)6(9)4-8(10)13/h2-3,6H,4,9H2,1H3,(H2,10,13).
What are the key properties of 3-amino-3-(2-methylpyrimidin-4-yl)propanamide?
3-amino-3-(2-methylpyrimidin-4-yl)propanamide has a molecular weight of 180.21 g/mol, XLogP of -0.34, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-3-(2-methylpyrimidin-4-yl)propanamide is sourced from PubChem (CID 115527138), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).