1-[(1-cyclopropylpiperidin-2-yl)methyl]-3-(2-methylpyrimidin-4-yl)urea

C15H23N5O — CID 154785059

IUPAC1-[(1-cyclopropylpiperidin-2-yl)methyl]-3-(2-methylpyrimidin-4-yl)urea
SMILESCc1nccc(NC(=O)NCC2CCCCN2C2CC2)n1
InChIInChI=1S/C15H23N5O/c1-11-16-8-7-14(18-11)19-15(21)17-10-13-4-2-3-9-20(13)12-5-6-12/h7-8,12-13H,2-6,9-10H2,1H3,(H2,16,17,18,19,21)
InChIKeyAFWYWTYPVUJCJG-UHFFFAOYSA-N
MW289.38 g/mol
LogP1.92
Rot. Bonds4

About 1-[(1-cyclopropylpiperidin-2-yl)methyl]-3-(2-methylpyrimidin-4-yl)urea

1-[(1-cyclopropylpiperidin-2-yl)methyl]-3-(2-methylpyrimidin-4-yl)urea (PubChem CID 154785059) has the molecular formula C15H23N5O and a molecular weight of 289.38 g/mol. Its IUPAC name is 1-[(1-cyclopropylpiperidin-2-yl)methyl]-3-(2-methylpyrimidin-4-yl)urea.

Molecular Properties

Compound Name1-[(1-cyclopropylpiperidin-2-yl)methyl]-3-(2-methylpyrimidin-4-yl)urea
PubChem CID154785059
Molecular FormulaC15H23N5O
Molecular Weight289.38 g/mol
Exact Mass289.19
IUPAC Name1-[(1-cyclopropylpiperidin-2-yl)methyl]-3-(2-methylpyrimidin-4-yl)urea
SMILESCc1nccc(NC(=O)NCC2CCCCN2C2CC2)n1
InChIInChI=1S/C15H23N5O/c1-11-16-8-7-14(18-11)19-15(21)17-10-13-4-2-3-9-20(13)12-5-6-12/h7-8,12-13H,2-6,9-10H2,1H3,(H2,16,17,18,19,21)
InChIKeyAFWYWTYPVUJCJG-UHFFFAOYSA-N
XLogP1.92
TPSA70.15 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.38
LogP ≤ 51.92
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 1-[(1-cyclopropylpiperidin-2-yl)methyl]-3-(2-methylpyrimidin-4-yl)urea with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1-[[(2R)-1-cyclopropylpiperidin-2-yl]methyl]-3-[2-(dimethylamino)-4-pyridinyl]urea
CID 164635330
N-[(1-cyclohexylpiperidin-2-yl)methyl]acetamide
CID 70842242
N-[(1-cyclopropylpiperidin-2-yl)methyl]-2-[2-[(1-cyclopropylpiperidin-2-yl)methylamino]-2-oxoethyl]sulfanylacetamide
CID 166229765
2-[1-[(2-methylpyrimidin-4-yl)methyl]piperidin-2-yl]acetic acid
CID 115529605
1-[(2-methylpyrimidin-4-yl)carbamoyl]piperidine-3-carboxylic acid
CID 122089896
tert-butyl N-[(1-cyclopropylpiperidin-2-yl)methyl]carbamate
CID 175669782
methyl 2-[1-(2-methylpyrimidin-4-yl)piperidin-2-yl]acetate
CID 62771827
N-[[(2S)-1-cyclopropylpiperidin-2-yl]methyl]-5-ethyl-1-pyridin-2-ylpyrazole-4-carboxamide
CID 100655227
3-[1-(2-methylpyrimidin-4-yl)piperidin-2-yl]propanoic acid
CID 62785287
(1-methylpiperidin-4-yl) N-(2-methylpyrimidin-4-yl)carbamate
CID 178146899
2-methyl-N-[(2-methylpyrimidin-4-yl)methyl]piperidine-1-carboxamide
CID 47328498
N-methyl-1-[1-[(2-methylpyrimidin-4-yl)methyl]piperidin-2-yl]methanamine
CID 113328848

Frequently Asked Questions

What is the IUPAC name of 1-[(1-cyclopropylpiperidin-2-yl)methyl]-3-(2-methylpyrimidin-4-yl)urea?
The IUPAC name of 1-[(1-cyclopropylpiperidin-2-yl)methyl]-3-(2-methylpyrimidin-4-yl)urea (CID 154785059) is 1-[(1-cyclopropylpiperidin-2-yl)methyl]-3-(2-methylpyrimidin-4-yl)urea.
What is the SMILES notation for 1-[(1-cyclopropylpiperidin-2-yl)methyl]-3-(2-methylpyrimidin-4-yl)urea?
The canonical SMILES for 1-[(1-cyclopropylpiperidin-2-yl)methyl]-3-(2-methylpyrimidin-4-yl)urea is Cc1nccc(NC(=O)NCC2CCCCN2C2CC2)n1.
What is the InChIKey of 1-[(1-cyclopropylpiperidin-2-yl)methyl]-3-(2-methylpyrimidin-4-yl)urea?
The InChIKey is AFWYWTYPVUJCJG-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23N5O/c1-11-16-8-7-14(18-11)19-15(21)17-10-13-4-2-3-9-20(13)12-5-6-12/h7-8,12-13H,2-6,9-10H2,1H3,(H2,16,17,18,19,21).
What are the key properties of 1-[(1-cyclopropylpiperidin-2-yl)methyl]-3-(2-methylpyrimidin-4-yl)urea?
1-[(1-cyclopropylpiperidin-2-yl)methyl]-3-(2-methylpyrimidin-4-yl)urea has a molecular weight of 289.38 g/mol, XLogP of 1.92, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(1-cyclopropylpiperidin-2-yl)methyl]-3-(2-methylpyrimidin-4-yl)urea is sourced from PubChem (CID 154785059), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).