1-methyl-1-[(3R)-1-phenylpiperidin-3-yl]-3-pyrimidin-4-ylurea

C17H21N5O — CID 124626898

IUPAC1-methyl-1-[(3R)-1-phenylpiperidin-3-yl]-3-pyrimidin-4-ylurea
SMILESCN(C(=O)Nc1ccncn1)[C@@H]1CCCN(c2ccccc2)C1
InChIInChI=1S/C17H21N5O/c1-21(17(23)20-16-9-10-18-13-19-16)15-8-5-11-22(12-15)14-6-3-2-4-7-14/h2-4,6-7,9-10,13,15H,5,8,11-12H2,1H3,(H,18,19,20,23)/t15-/m1/s1
InChIKeyLJCBBBMAUURVOR-OAHLLOKOSA-N
MW311.39 g/mol
LogP2.61
Rot. Bonds3

About 1-methyl-1-[(3R)-1-phenylpiperidin-3-yl]-3-pyrimidin-4-ylurea

1-methyl-1-[(3R)-1-phenylpiperidin-3-yl]-3-pyrimidin-4-ylurea (PubChem CID 124626898) has the molecular formula C17H21N5O and a molecular weight of 311.39 g/mol. Its IUPAC name is 1-methyl-1-[(3R)-1-phenylpiperidin-3-yl]-3-pyrimidin-4-ylurea.

Molecular Properties

Compound Name1-methyl-1-[(3R)-1-phenylpiperidin-3-yl]-3-pyrimidin-4-ylurea
PubChem CID124626898
Molecular FormulaC17H21N5O
Molecular Weight311.39 g/mol
Exact Mass311.17
IUPAC Name1-methyl-1-[(3R)-1-phenylpiperidin-3-yl]-3-pyrimidin-4-ylurea
SMILESCN(C(=O)Nc1ccncn1)[C@@H]1CCCN(c2ccccc2)C1
InChIInChI=1S/C17H21N5O/c1-21(17(23)20-16-9-10-18-13-19-16)15-8-5-11-22(12-15)14-6-3-2-4-7-14/h2-4,6-7,9-10,13,15H,5,8,11-12H2,1H3,(H,18,19,20,23)/t15-/m1/s1
InChIKeyLJCBBBMAUURVOR-OAHLLOKOSA-N
XLogP2.61
TPSA61.36 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500311.39
LogP ≤ 52.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 1-methyl-1-[(3R)-1-phenylpiperidin-3-yl]-3-pyrimidin-4-ylurea 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

3-ethyl-1-methyl-1-(1-phenylpiperidin-3-yl)urea
CID 136526166
N'-methyl-N'-[(3S)-1-phenylpiperidin-3-yl]-N-pyridin-3-yloxamide
CID 129401003
1-[4-(hydroxymethyl)cyclohexyl]-1-methyl-3-pyrimidin-4-ylurea
CID 167906538
3-amino-N-methyl-N-(1-phenylpiperidin-3-yl)cyclohexane-1-carboxamide
CID 119889662
2-amino-N-methyl-N-(1-phenylpiperidin-3-yl)benzamide
CID 119947279
3-amino-N-methyl-N-(1-phenylpiperidin-3-yl)cyclohexane-1-carboxamide;dihydrochloride
CID 119889661
4-amino-N-methyl-N-(1-phenylpiperidin-3-yl)butanamide
CID 119889710
N-[(2R)-1-[methyl-[(3R)-1-phenylpiperidin-3-yl]amino]-1-oxopropan-2-yl]cyclobutanecarboxamide
CID 97061605
N-methyl-N-(1-phenylpiperidin-3-yl)pyrrolidine-3-carboxamide
CID 119889712
1-[(3S)-1-benzylpiperidin-3-yl]-1-methyl-3-(1,2-oxazol-3-yl)urea
CID 124616847
1-[6-(4-acetyl-1,4-diazepan-1-yl)-3-amino-2-pyridinyl]-1-cyclohexyl-3-pyrimidin-4-ylurea
CID 130437525
N,N-dimethyl-2-[4-(pyrimidin-4-ylamino)piperidin-1-yl]acetamide
CID 144655106

Frequently Asked Questions

What is the IUPAC name of 1-methyl-1-[(3R)-1-phenylpiperidin-3-yl]-3-pyrimidin-4-ylurea?
The IUPAC name of 1-methyl-1-[(3R)-1-phenylpiperidin-3-yl]-3-pyrimidin-4-ylurea (CID 124626898) is 1-methyl-1-[(3R)-1-phenylpiperidin-3-yl]-3-pyrimidin-4-ylurea.
What is the SMILES notation for 1-methyl-1-[(3R)-1-phenylpiperidin-3-yl]-3-pyrimidin-4-ylurea?
The canonical SMILES for 1-methyl-1-[(3R)-1-phenylpiperidin-3-yl]-3-pyrimidin-4-ylurea is CN(C(=O)Nc1ccncn1)[C@@H]1CCCN(c2ccccc2)C1.
What is the InChIKey of 1-methyl-1-[(3R)-1-phenylpiperidin-3-yl]-3-pyrimidin-4-ylurea?
The InChIKey is LJCBBBMAUURVOR-OAHLLOKOSA-N. The full InChI is InChI=1S/C17H21N5O/c1-21(17(23)20-16-9-10-18-13-19-16)15-8-5-11-22(12-15)14-6-3-2-4-7-14/h2-4,6-7,9-10,13,15H,5,8,11-12H2,1H3,(H,18,19,20,23)/t15-/m1/s1.
What are the key properties of 1-methyl-1-[(3R)-1-phenylpiperidin-3-yl]-3-pyrimidin-4-ylurea?
1-methyl-1-[(3R)-1-phenylpiperidin-3-yl]-3-pyrimidin-4-ylurea has a molecular weight of 311.39 g/mol, XLogP of 2.61, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-1-[(3R)-1-phenylpiperidin-3-yl]-3-pyrimidin-4-ylurea is sourced from PubChem (CID 124626898), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).