1-[1-(2,4-dimethoxyphenyl)ethyl]-3-(1-pyrimidin-2-ylpiperidin-4-yl)urea

C20H27N5O3 — CID 55746439

IUPAC1-[1-(2,4-dimethoxyphenyl)ethyl]-3-(1-pyrimidin-2-ylpiperidin-4-yl)urea
SMILESCOc1ccc(C(C)NC(=O)NC2CCN(c3ncccn3)CC2)c(OC)c1
InChIInChI=1S/C20H27N5O3/c1-14(17-6-5-16(27-2)13-18(17)28-3)23-20(26)24-15-7-11-25(12-8-15)19-21-9-4-10-22-19/h4-6,9-10,13-15H,7-8,11-12H2,1-3H3,(H2,23,24,26)
InChIKeyCBVXLAMZIKMZCI-UHFFFAOYSA-N
MW385.47 g/mol
LogP2.52
Rot. Bonds6

About 1-[1-(2,4-dimethoxyphenyl)ethyl]-3-(1-pyrimidin-2-ylpiperidin-4-yl)urea

1-[1-(2,4-dimethoxyphenyl)ethyl]-3-(1-pyrimidin-2-ylpiperidin-4-yl)urea (PubChem CID 55746439) has the molecular formula C20H27N5O3 and a molecular weight of 385.47 g/mol. Its IUPAC name is 1-[1-(2,4-dimethoxyphenyl)ethyl]-3-(1-pyrimidin-2-ylpiperidin-4-yl)urea.

Molecular Properties

Compound Name1-[1-(2,4-dimethoxyphenyl)ethyl]-3-(1-pyrimidin-2-ylpiperidin-4-yl)urea
PubChem CID55746439
Molecular FormulaC20H27N5O3
Molecular Weight385.47 g/mol
Exact Mass385.21
IUPAC Name1-[1-(2,4-dimethoxyphenyl)ethyl]-3-(1-pyrimidin-2-ylpiperidin-4-yl)urea
SMILESCOc1ccc(C(C)NC(=O)NC2CCN(c3ncccn3)CC2)c(OC)c1
InChIInChI=1S/C20H27N5O3/c1-14(17-6-5-16(27-2)13-18(17)28-3)23-20(26)24-15-7-11-25(12-8-15)19-21-9-4-10-22-19/h4-6,9-10,13-15H,7-8,11-12H2,1-3H3,(H2,23,24,26)
InChIKeyCBVXLAMZIKMZCI-UHFFFAOYSA-N
XLogP2.52
TPSA88.61 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500385.47
LogP ≤ 52.52
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

1-(6,7-dihydro-5H-pyrrolo[1,2-a]imidazol-7-yl)-3-[(1R)-1-(2,4-dimethoxyphenyl)ethyl]urea
CID 138010389
1-cyclopentyl-3-[1-(2,5-dimethoxyphenyl)ethyl]urea
CID 42928160
1-[(1R)-1-(1,3-dimethylpyrazol-4-yl)ethyl]-3-(1-pyrimidin-2-ylpiperidin-4-yl)urea
CID 95272461
2,6-dimethoxy-N-(1-pyrimidin-2-ylpiperidin-4-yl)benzamide
CID 110712543
1-(2,4-dimethoxyphenyl)-5-oxo-N-(1-pyrimidin-2-ylpiperidin-4-yl)pyrrolidine-3-carboxamide
CID 55705430
N-[(1S)-1-(2,5-dimethoxyphenyl)ethyl]-2-(4-pyrimidin-2-ylpiperazin-1-yl)acetamide
CID 8595828
1-[(3,5-dimethoxyphenyl)methyl]-3-(1-pyrimidin-2-ylpiperidin-4-yl)urea
CID 55922079
1-[1-(4-methyl-1,2,4-triazol-3-yl)ethyl]-3-(1-pyrimidin-2-ylpiperidin-4-yl)urea
CID 71893318
1-[1-(2,4-dimethoxyphenyl)ethyl]-3-[2-(pyridin-2-ylamino)ethyl]urea
CID 51083709
1-butan-2-yl-3-[1-(2,4-dimethoxyphenyl)ethyl]urea
CID 47216355
N-(2,5-dimethoxyphenyl)-1-pyrimidin-2-ylpiperidine-4-carboxamide
CID 653950
1-[1-(2,4-dimethoxyphenyl)ethyl]-3-quinolin-8-ylurea
CID 55695740

Frequently Asked Questions

What is the IUPAC name of 1-[1-(2,4-dimethoxyphenyl)ethyl]-3-(1-pyrimidin-2-ylpiperidin-4-yl)urea?
The IUPAC name of 1-[1-(2,4-dimethoxyphenyl)ethyl]-3-(1-pyrimidin-2-ylpiperidin-4-yl)urea (CID 55746439) is 1-[1-(2,4-dimethoxyphenyl)ethyl]-3-(1-pyrimidin-2-ylpiperidin-4-yl)urea.
What is the SMILES notation for 1-[1-(2,4-dimethoxyphenyl)ethyl]-3-(1-pyrimidin-2-ylpiperidin-4-yl)urea?
The canonical SMILES for 1-[1-(2,4-dimethoxyphenyl)ethyl]-3-(1-pyrimidin-2-ylpiperidin-4-yl)urea is COc1ccc(C(C)NC(=O)NC2CCN(c3ncccn3)CC2)c(OC)c1.
What is the InChIKey of 1-[1-(2,4-dimethoxyphenyl)ethyl]-3-(1-pyrimidin-2-ylpiperidin-4-yl)urea?
The InChIKey is CBVXLAMZIKMZCI-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H27N5O3/c1-14(17-6-5-16(27-2)13-18(17)28-3)23-20(26)24-15-7-11-25(12-8-15)19-21-9-4-10-22-19/h4-6,9-10,13-15H,7-8,11-12H2,1-3H3,(H2,23,24,26).
What are the key properties of 1-[1-(2,4-dimethoxyphenyl)ethyl]-3-(1-pyrimidin-2-ylpiperidin-4-yl)urea?
1-[1-(2,4-dimethoxyphenyl)ethyl]-3-(1-pyrimidin-2-ylpiperidin-4-yl)urea has a molecular weight of 385.47 g/mol, XLogP of 2.52, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[1-(2,4-dimethoxyphenyl)ethyl]-3-(1-pyrimidin-2-ylpiperidin-4-yl)urea is sourced from PubChem (CID 55746439), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).