N-cyclopropyl-2-[(2-methylpyrimidin-4-yl)methylamino]propanamide

C12H18N4O — CID 54902257

IUPACN-cyclopropyl-2-[(2-methylpyrimidin-4-yl)methylamino]propanamide
SMILESCc1nccc(CNC(C)C(=O)NC2CC2)n1
InChIInChI=1S/C12H18N4O/c1-8(12(17)16-10-3-4-10)14-7-11-5-6-13-9(2)15-11/h5-6,8,10,14H,3-4,7H2,1-2H3,(H,16,17)
InChIKeyLOFIBAWQJLLWHV-UHFFFAOYSA-N
MW234.30 g/mol
LogP0.54
Rot. Bonds5

About N-cyclopropyl-2-[(2-methylpyrimidin-4-yl)methylamino]propanamide

N-cyclopropyl-2-[(2-methylpyrimidin-4-yl)methylamino]propanamide (PubChem CID 54902257) has the molecular formula C12H18N4O and a molecular weight of 234.30 g/mol. Its IUPAC name is N-cyclopropyl-2-[(2-methylpyrimidin-4-yl)methylamino]propanamide.

Molecular Properties

Compound NameN-cyclopropyl-2-[(2-methylpyrimidin-4-yl)methylamino]propanamide
PubChem CID54902257
Molecular FormulaC12H18N4O
Molecular Weight234.30 g/mol
Exact Mass234.15
IUPAC NameN-cyclopropyl-2-[(2-methylpyrimidin-4-yl)methylamino]propanamide
SMILESCc1nccc(CNC(C)C(=O)NC2CC2)n1
InChIInChI=1S/C12H18N4O/c1-8(12(17)16-10-3-4-10)14-7-11-5-6-13-9(2)15-11/h5-6,8,10,14H,3-4,7H2,1-2H3,(H,16,17)
InChIKeyLOFIBAWQJLLWHV-UHFFFAOYSA-N
XLogP0.54
TPSA66.91 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500234.30
LogP ≤ 50.54
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-cyclopropyl-2-(4-methylpyrimidin-2-yl)sulfanylacetamide
CID 6465408
N'-cyclopentyl-N-methyl-N-(4-pyrimidinylmethyl)succinamide
CID 28363197
1-[(2-methylpyrimidin-4-yl)methyl]-3-[2-oxo-5-(trifluoromethyl)-1H-pyridin-3-yl]urea
CID 47491854
N-cyclopropyl-4-(6-methyl-2-propyl-4-pyrimidinyl)-2-piperazinecarboxamide
CID 56903950
1-[2-(4-Methylpyrimidin-2-yl)pyrrolidin-1-yl]ethanone
CID 73439401
2-(Dimethylamino)-1-[2-(4-methylpyrimidin-2-yl)pyrrolidin-1-yl]ethanone
CID 73440182
3-Ethyl-4-(6-methylpyrimidin-4-yl)piperazin-2-one
CID 75379309
3-Ethyl-4-(4-methylpyrimidin-2-yl)piperazin-2-one
CID 75379310
1-[[2-(Dimethylamino)pyrimidin-4-yl]methyl]-3-propan-2-ylurea
CID 75444256
1-Tert-butyl-3-[[2-(dimethylamino)pyrimidin-4-yl]methyl]urea
CID 75444258
1-[[2-(Dimethylamino)pyrimidin-4-yl]methyl]-3-ethylurea
CID 75444259
1-[2-(4-Methylpyrimidin-2-yl)piperidin-1-yl]butan-1-one
CID 110256003

Frequently Asked Questions

What is the IUPAC name of N-cyclopropyl-2-[(2-methylpyrimidin-4-yl)methylamino]propanamide?
The IUPAC name of N-cyclopropyl-2-[(2-methylpyrimidin-4-yl)methylamino]propanamide (CID 54902257) is N-cyclopropyl-2-[(2-methylpyrimidin-4-yl)methylamino]propanamide.
What is the SMILES notation for N-cyclopropyl-2-[(2-methylpyrimidin-4-yl)methylamino]propanamide?
The canonical SMILES for N-cyclopropyl-2-[(2-methylpyrimidin-4-yl)methylamino]propanamide is Cc1nccc(CNC(C)C(=O)NC2CC2)n1.
What is the InChIKey of N-cyclopropyl-2-[(2-methylpyrimidin-4-yl)methylamino]propanamide?
The InChIKey is LOFIBAWQJLLWHV-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18N4O/c1-8(12(17)16-10-3-4-10)14-7-11-5-6-13-9(2)15-11/h5-6,8,10,14H,3-4,7H2,1-2H3,(H,16,17).
What are the key properties of N-cyclopropyl-2-[(2-methylpyrimidin-4-yl)methylamino]propanamide?
N-cyclopropyl-2-[(2-methylpyrimidin-4-yl)methylamino]propanamide has a molecular weight of 234.30 g/mol, XLogP of 0.54, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclopropyl-2-[(2-methylpyrimidin-4-yl)methylamino]propanamide is sourced from PubChem (CID 54902257), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).