1-[2-(cyclopropylamino)-4-methylpyrimidin-5-yl]ethanone

C10H13N3O — CID 71668637

IUPAC1-[2-(cyclopropylamino)-4-methylpyrimidin-5-yl]ethanone
SMILESCC(=O)c1cnc(NC2CC2)nc1C
InChIInChI=1S/C10H13N3O/c1-6-9(7(2)14)5-11-10(12-6)13-8-3-4-8/h5,8H,3-4H2,1-2H3,(H,11,12,13)
InChIKeyRGZVAHCNCYHAEH-UHFFFAOYSA-N
MW191.23 g/mol
LogP1.56
Rot. Bonds3

About 1-[2-(cyclopropylamino)-4-methylpyrimidin-5-yl]ethanone

1-[2-(cyclopropylamino)-4-methylpyrimidin-5-yl]ethanone (PubChem CID 71668637) has the molecular formula C10H13N3O and a molecular weight of 191.23 g/mol. Its IUPAC name is 1-[2-(cyclopropylamino)-4-methylpyrimidin-5-yl]ethanone.

Molecular Properties

Compound Name1-[2-(cyclopropylamino)-4-methylpyrimidin-5-yl]ethanone
PubChem CID71668637
Molecular FormulaC10H13N3O
Molecular Weight191.23 g/mol
Exact Mass191.11
IUPAC Name1-[2-(cyclopropylamino)-4-methylpyrimidin-5-yl]ethanone
SMILESCC(=O)c1cnc(NC2CC2)nc1C
InChIInChI=1S/C10H13N3O/c1-6-9(7(2)14)5-11-10(12-6)13-8-3-4-8/h5,8H,3-4H2,1-2H3,(H,11,12,13)
InChIKeyRGZVAHCNCYHAEH-UHFFFAOYSA-N
XLogP1.56
TPSA54.88 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500191.23
LogP ≤ 51.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

4-[(5-acetyl-4-methylpyrimidin-2-yl)amino]-1-propylpyrrolidin-2-one
CID 137342222
4-methyl-2-(thiolan-3-ylamino)pyrimidine-5-carboxylic acid
CID 103063365
4-amino-2-(cyclopropylamino)pyrimidine-5-carboxylic acid
CID 116640912
ethyl 2-(cyclopropylamino)-4-ethylpyrimidine-5-carboxylate
CID 102972850
4-methyl-2-(1,2,3,4-tetrahydronaphthalen-2-ylamino)pyrimidine-5-carboxylic acid
CID 83178304
ethyl 2-(cyclohex-3-en-1-ylamino)-4-methylpyrimidine-5-carboxylate
CID 83178577
ethyl 4-methyl-2-(piperidin-3-ylamino)pyrimidine-5-carboxylate
CID 83181624
1-[4-methyl-2-(oxan-3-ylmethylamino)pyrimidin-5-yl]ethanone
CID 135089444
4-methyl-2-[(2-methylcyclopentyl)amino]pyrimidine-5-carboxylic acid
CID 83181541
ethyl 2-(cyclopropylamino)-4-(trifluoromethyl)pyrimidine-5-carboxylate
CID 102972606
5-bromo-N-cyclohexyl-4-methylpyrimidin-2-amine
CID 115050366
1-[2-(4,4-dimethylcyclohexyl)-4-methylpyrimidin-5-yl]ethanone
CID 65389490

Frequently Asked Questions

What is the IUPAC name of 1-[2-(cyclopropylamino)-4-methylpyrimidin-5-yl]ethanone?
The IUPAC name of 1-[2-(cyclopropylamino)-4-methylpyrimidin-5-yl]ethanone (CID 71668637) is 1-[2-(cyclopropylamino)-4-methylpyrimidin-5-yl]ethanone.
What is the SMILES notation for 1-[2-(cyclopropylamino)-4-methylpyrimidin-5-yl]ethanone?
The canonical SMILES for 1-[2-(cyclopropylamino)-4-methylpyrimidin-5-yl]ethanone is CC(=O)c1cnc(NC2CC2)nc1C.
What is the InChIKey of 1-[2-(cyclopropylamino)-4-methylpyrimidin-5-yl]ethanone?
The InChIKey is RGZVAHCNCYHAEH-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13N3O/c1-6-9(7(2)14)5-11-10(12-6)13-8-3-4-8/h5,8H,3-4H2,1-2H3,(H,11,12,13).
What are the key properties of 1-[2-(cyclopropylamino)-4-methylpyrimidin-5-yl]ethanone?
1-[2-(cyclopropylamino)-4-methylpyrimidin-5-yl]ethanone has a molecular weight of 191.23 g/mol, XLogP of 1.56, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(cyclopropylamino)-4-methylpyrimidin-5-yl]ethanone is sourced from PubChem (CID 71668637), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).