1-(1,2-dimethylpiperidin-3-yl)-3-[3-(4-ethyl-6-oxo-1H-pyrimidin-2-yl)phenyl]urea

C20H27N5O2 — CID 167784485

IUPAC1-(1,2-dimethylpiperidin-3-yl)-3-[3-(4-ethyl-6-oxo-1H-pyrimidin-2-yl)phenyl]urea
SMILESCCc1cc(=O)[nH]c(-c2cccc(NC(=O)NC3CCCN(C)C3C)c2)n1
InChIInChI=1S/C20H27N5O2/c1-4-15-12-18(26)24-19(21-15)14-7-5-8-16(11-14)22-20(27)23-17-9-6-10-25(3)13(17)2/h5,7-8,11-13,17H,4,6,9-10H2,1-3H3,(H,21,24,26)(H2,22,23,27)
InChIKeyQIBYUVWVYRSKMX-UHFFFAOYSA-N
MW369.47 g/mol
LogP2.60
Rot. Bonds4

About 1-(1,2-dimethylpiperidin-3-yl)-3-[3-(4-ethyl-6-oxo-1H-pyrimidin-2-yl)phenyl]urea

1-(1,2-dimethylpiperidin-3-yl)-3-[3-(4-ethyl-6-oxo-1H-pyrimidin-2-yl)phenyl]urea (PubChem CID 167784485) has the molecular formula C20H27N5O2 and a molecular weight of 369.47 g/mol. Its IUPAC name is 1-(1,2-dimethylpiperidin-3-yl)-3-[3-(4-ethyl-6-oxo-1H-pyrimidin-2-yl)phenyl]urea.

Molecular Properties

Compound Name1-(1,2-dimethylpiperidin-3-yl)-3-[3-(4-ethyl-6-oxo-1H-pyrimidin-2-yl)phenyl]urea
PubChem CID167784485
Molecular FormulaC20H27N5O2
Molecular Weight369.47 g/mol
Exact Mass369.22
IUPAC Name1-(1,2-dimethylpiperidin-3-yl)-3-[3-(4-ethyl-6-oxo-1H-pyrimidin-2-yl)phenyl]urea
SMILESCCc1cc(=O)[nH]c(-c2cccc(NC(=O)NC3CCCN(C)C3C)c2)n1
InChIInChI=1S/C20H27N5O2/c1-4-15-12-18(26)24-19(21-15)14-7-5-8-16(11-14)22-20(27)23-17-9-6-10-25(3)13(17)2/h5,7-8,11-13,17H,4,6,9-10H2,1-3H3,(H,21,24,26)(H2,22,23,27)
InChIKeyQIBYUVWVYRSKMX-UHFFFAOYSA-N
XLogP2.60
TPSA90.12 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500369.47
LogP ≤ 52.60
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Analyze 1-(1,2-dimethylpiperidin-3-yl)-3-[3-(4-ethyl-6-oxo-1H-pyrimidin-2-yl)phenyl]urea with MolForge

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Related Compounds

N-[3-(4-ethyl-6-oxo-1H-pyrimidin-2-yl)phenyl]pyrrolidine-2-carboxamide;hydrochloride
CID 137094562
2-chloro-N-[3-(4-ethyl-6-oxo-1H-pyrimidin-2-yl)phenyl]acetamide
CID 146083065
(2R)-N-[3-(4-ethyl-6-oxo-1H-pyrimidin-2-yl)phenyl]-2-thiophen-3-ylpyrrolidine-1-carboxamide
CID 135996421
3-amino-N-[3-(4-ethyl-6-oxo-1H-pyrimidin-2-yl)phenyl]cyclopentane-1-carboxamide
CID 137028902
1-amino-N-[3-(4-ethyl-6-oxo-1H-pyrimidin-2-yl)phenyl]cyclopentane-1-carboxamide;hydrochloride
CID 137094564
1-(1,2-dimethylpiperidin-3-yl)-3-(2-phenyl-4-pyridinyl)urea
CID 167925516
(3aS,7aR)-N-[3-(4-ethyl-6-oxo-1H-pyrimidin-2-yl)phenyl]-1,2,3,4,5,6,7,7a-octahydroisoindole-3a-carboxamide
CID 137125165
N-[3-(4-ethyl-6-oxo-1H-pyrimidin-2-yl)phenyl]-3,5-dimethyladamantane-1-carboxamide
CID 136963161
2-[1-[2-[3-(4-ethyl-6-oxo-1H-pyrimidin-2-yl)anilino]-2-oxoethyl]cyclohexyl]acetic acid
CID 137160874
N-[3-(4-ethyl-6-oxo-1H-pyrimidin-2-yl)phenyl]-1-(3-methoxyphenyl)cyclopropane-1-carboxamide
CID 155946122
N'-[3-(4-ethyl-6-oxo-1H-pyrimidin-2-yl)phenyl]-N-(6,7,8,9-tetrahydro-5H-[1,2,4]triazolo[4,3-a]azepin-3-ylmethyl)oxamide
CID 137259087
5-bromo-N-[3-(4-ethyl-6-oxo-1H-pyrimidin-2-yl)phenyl]-2-hydroxybenzamide
CID 136961162

Frequently Asked Questions

What is the IUPAC name of 1-(1,2-dimethylpiperidin-3-yl)-3-[3-(4-ethyl-6-oxo-1H-pyrimidin-2-yl)phenyl]urea?
The IUPAC name of 1-(1,2-dimethylpiperidin-3-yl)-3-[3-(4-ethyl-6-oxo-1H-pyrimidin-2-yl)phenyl]urea (CID 167784485) is 1-(1,2-dimethylpiperidin-3-yl)-3-[3-(4-ethyl-6-oxo-1H-pyrimidin-2-yl)phenyl]urea.
What is the SMILES notation for 1-(1,2-dimethylpiperidin-3-yl)-3-[3-(4-ethyl-6-oxo-1H-pyrimidin-2-yl)phenyl]urea?
The canonical SMILES for 1-(1,2-dimethylpiperidin-3-yl)-3-[3-(4-ethyl-6-oxo-1H-pyrimidin-2-yl)phenyl]urea is CCc1cc(=O)[nH]c(-c2cccc(NC(=O)NC3CCCN(C)C3C)c2)n1.
What is the InChIKey of 1-(1,2-dimethylpiperidin-3-yl)-3-[3-(4-ethyl-6-oxo-1H-pyrimidin-2-yl)phenyl]urea?
The InChIKey is QIBYUVWVYRSKMX-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H27N5O2/c1-4-15-12-18(26)24-19(21-15)14-7-5-8-16(11-14)22-20(27)23-17-9-6-10-25(3)13(17)2/h5,7-8,11-13,17H,4,6,9-10H2,1-3H3,(H,21,24,26)(H2,22,23,27).
What are the key properties of 1-(1,2-dimethylpiperidin-3-yl)-3-[3-(4-ethyl-6-oxo-1H-pyrimidin-2-yl)phenyl]urea?
1-(1,2-dimethylpiperidin-3-yl)-3-[3-(4-ethyl-6-oxo-1H-pyrimidin-2-yl)phenyl]urea has a molecular weight of 369.47 g/mol, XLogP of 2.60, 4 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1,2-dimethylpiperidin-3-yl)-3-[3-(4-ethyl-6-oxo-1H-pyrimidin-2-yl)phenyl]urea is sourced from PubChem (CID 167784485), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).