2-[(6-amino-2-cyclopropyl-5-methylpyrimidin-4-yl)amino]-N-methylpropanamide

C12H19N5O — CID 80986199

IUPAC2-[(6-amino-2-cyclopropyl-5-methylpyrimidin-4-yl)amino]-N-methylpropanamide
SMILESCNC(=O)C(C)Nc1nc(C2CC2)nc(N)c1C
InChIInChI=1S/C12H19N5O/c1-6-9(13)16-11(8-4-5-8)17-10(6)15-7(2)12(18)14-3/h7-8H,4-5H2,1-3H3,(H,14,18)(H3,13,15,16,17)
InChIKeyXCTUHZTZKLXNOP-UHFFFAOYSA-N
MW249.32 g/mol
LogP0.79
Rot. Bonds4

About 2-[(6-amino-2-cyclopropyl-5-methylpyrimidin-4-yl)amino]-N-methylpropanamide

2-[(6-amino-2-cyclopropyl-5-methylpyrimidin-4-yl)amino]-N-methylpropanamide (PubChem CID 80986199) has the molecular formula C12H19N5O and a molecular weight of 249.32 g/mol. Its IUPAC name is 2-[(6-amino-2-cyclopropyl-5-methylpyrimidin-4-yl)amino]-N-methylpropanamide.

Molecular Properties

Compound Name2-[(6-amino-2-cyclopropyl-5-methylpyrimidin-4-yl)amino]-N-methylpropanamide
PubChem CID80986199
Molecular FormulaC12H19N5O
Molecular Weight249.32 g/mol
Exact Mass249.16
IUPAC Name2-[(6-amino-2-cyclopropyl-5-methylpyrimidin-4-yl)amino]-N-methylpropanamide
SMILESCNC(=O)C(C)Nc1nc(C2CC2)nc(N)c1C
InChIInChI=1S/C12H19N5O/c1-6-9(13)16-11(8-4-5-8)17-10(6)15-7(2)12(18)14-3/h7-8H,4-5H2,1-3H3,(H,14,18)(H3,13,15,16,17)
InChIKeyXCTUHZTZKLXNOP-UHFFFAOYSA-N
XLogP0.79
TPSA92.93 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.32
LogP ≤ 50.79
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Related Compounds

2-[(6-amino-2-cyclopropyl-5-methylpyrimidin-4-yl)amino]-N-propylpropanamide
CID 80986210
4-N-butan-2-yl-2-cyclopropyl-5-methylpyrimidine-4,6-diamine
CID 80980857
4-N-(1-cyclopentylethyl)-2-cyclopropyl-5-methylpyrimidine-4,6-diamine
CID 80983559
2-cyclopropyl-5-methyl-4-N-[1-(5-methylthiophen-2-yl)propan-2-yl]pyrimidine-4,6-diamine
CID 80984662
2-cyclopropyl-5-methyl-4-N-(1-thiophen-2-ylpropan-2-yl)pyrimidine-4,6-diamine
CID 80985188
2-cyclopropyl-4-N-(3,5-dimethylphenyl)-5-methylpyrimidine-4,6-diamine
CID 80981554
2-[(6-amino-2,5-dimethylpyrimidin-4-yl)amino]propanamide
CID 80788095
2-cyclopropyl-6-hydrazinyl-5-methyl-N-propan-2-ylpyrimidin-4-amine
CID 81000903
2-cyclopropyl-4-N-(2-methoxypropyl)-5-methylpyrimidine-4,6-diamine
CID 102701899
3-[(6-amino-2-cyclopropyl-5-methylpyrimidin-4-yl)-methylamino]-N-methylpropanamide
CID 106918467
2-cyclopropyl-5-methyl-4-N-(2-methyl-3-methylsulfanylpropyl)pyrimidine-4,6-diamine
CID 80985077
4-[[2-cyclopropyl-5-methyl-6-(methylamino)pyrimidin-4-yl]amino]pentan-1-ol
CID 80992975

Frequently Asked Questions

What is the IUPAC name of 2-[(6-amino-2-cyclopropyl-5-methylpyrimidin-4-yl)amino]-N-methylpropanamide?
The IUPAC name of 2-[(6-amino-2-cyclopropyl-5-methylpyrimidin-4-yl)amino]-N-methylpropanamide (CID 80986199) is 2-[(6-amino-2-cyclopropyl-5-methylpyrimidin-4-yl)amino]-N-methylpropanamide.
What is the SMILES notation for 2-[(6-amino-2-cyclopropyl-5-methylpyrimidin-4-yl)amino]-N-methylpropanamide?
The canonical SMILES for 2-[(6-amino-2-cyclopropyl-5-methylpyrimidin-4-yl)amino]-N-methylpropanamide is CNC(=O)C(C)Nc1nc(C2CC2)nc(N)c1C.
What is the InChIKey of 2-[(6-amino-2-cyclopropyl-5-methylpyrimidin-4-yl)amino]-N-methylpropanamide?
The InChIKey is XCTUHZTZKLXNOP-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19N5O/c1-6-9(13)16-11(8-4-5-8)17-10(6)15-7(2)12(18)14-3/h7-8H,4-5H2,1-3H3,(H,14,18)(H3,13,15,16,17).
What are the key properties of 2-[(6-amino-2-cyclopropyl-5-methylpyrimidin-4-yl)amino]-N-methylpropanamide?
2-[(6-amino-2-cyclopropyl-5-methylpyrimidin-4-yl)amino]-N-methylpropanamide has a molecular weight of 249.32 g/mol, XLogP of 0.79, 4 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(6-amino-2-cyclopropyl-5-methylpyrimidin-4-yl)amino]-N-methylpropanamide is sourced from PubChem (CID 80986199), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).