2-amino-2-methyl-N-pyrimidin-4-ylpropanamide

C8H12N4O — CID 83617917

IUPAC2-amino-2-methyl-N-pyrimidin-4-ylpropanamide
SMILESCC(C)(N)C(=O)Nc1ccncn1
InChIInChI=1S/C8H12N4O/c1-8(2,9)7(13)12-6-3-4-10-5-11-6/h3-5H,9H2,1-2H3,(H,10,11,12,13)
InChIKeyPGNJOCYHSGBFQG-UHFFFAOYSA-N
MW180.21 g/mol
LogP0.15
Rot. Bonds2

About 2-amino-2-methyl-N-pyrimidin-4-ylpropanamide

2-amino-2-methyl-N-pyrimidin-4-ylpropanamide (PubChem CID 83617917) has the molecular formula C8H12N4O and a molecular weight of 180.21 g/mol. Its IUPAC name is 2-amino-2-methyl-N-pyrimidin-4-ylpropanamide.

Molecular Properties

Compound Name2-amino-2-methyl-N-pyrimidin-4-ylpropanamide
PubChem CID83617917
Molecular FormulaC8H12N4O
Molecular Weight180.21 g/mol
Exact Mass180.10
IUPAC Name2-amino-2-methyl-N-pyrimidin-4-ylpropanamide
SMILESCC(C)(N)C(=O)Nc1ccncn1
InChIInChI=1S/C8H12N4O/c1-8(2,9)7(13)12-6-3-4-10-5-11-6/h3-5H,9H2,1-2H3,(H,10,11,12,13)
InChIKeyPGNJOCYHSGBFQG-UHFFFAOYSA-N
XLogP0.15
TPSA80.90 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500180.21
LogP ≤ 50.15
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-methyl-2-(methylamino)-N-pyrimidin-4-ylpropanamide
CID 83618049
N-pyrimidin-4-ylacetamide;hydrochloride
CID 126797028
2-methoxy-N-pyrimidin-4-ylacetamide
CID 110460486
N-pyrimidin-4-ylbutanamide
CID 130272746
N,2,2-trimethyl-3-(pyrimidin-4-ylamino)propanamide
CID 106278325
2-amino-N-[5-(dimethylamino)-2-pyridinyl]-2-methylpropanamide;dihydrochloride
CID 119863152
(2S,3S)-2-amino-3-methyl-N-pyrimidin-4-ylpentanamide
CID 110837827
2-methyl-3-(methylamino)-N-pyrimidin-4-ylpropanamide
CID 83618247
2-amino-2-methyl-N-[4-(pyridin-4-ylmethyl)phenyl]propanamide
CID 110460952
2-methyl-2-N-pyrimidin-4-ylbutane-1,2-diamine
CID 64550109
2-(pyrimidin-4-ylamino)ethylurea
CID 83113277
N-methylpyrimidin-4-amine;propanedioic acid
CID 70381240

Frequently Asked Questions

What is the IUPAC name of 2-amino-2-methyl-N-pyrimidin-4-ylpropanamide?
The IUPAC name of 2-amino-2-methyl-N-pyrimidin-4-ylpropanamide (CID 83617917) is 2-amino-2-methyl-N-pyrimidin-4-ylpropanamide.
What is the SMILES notation for 2-amino-2-methyl-N-pyrimidin-4-ylpropanamide?
The canonical SMILES for 2-amino-2-methyl-N-pyrimidin-4-ylpropanamide is CC(C)(N)C(=O)Nc1ccncn1.
What is the InChIKey of 2-amino-2-methyl-N-pyrimidin-4-ylpropanamide?
The InChIKey is PGNJOCYHSGBFQG-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H12N4O/c1-8(2,9)7(13)12-6-3-4-10-5-11-6/h3-5H,9H2,1-2H3,(H,10,11,12,13).
What are the key properties of 2-amino-2-methyl-N-pyrimidin-4-ylpropanamide?
2-amino-2-methyl-N-pyrimidin-4-ylpropanamide has a molecular weight of 180.21 g/mol, XLogP of 0.15, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-2-methyl-N-pyrimidin-4-ylpropanamide is sourced from PubChem (CID 83617917), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).