1-(2,3-dimethoxyphenyl)-3-(6-piperidin-1-ylpyrimidin-4-yl)urea

C18H23N5O3 — CID 90544779

IUPAC1-(2,3-dimethoxyphenyl)-3-(6-piperidin-1-ylpyrimidin-4-yl)urea
SMILESCOc1cccc(NC(=O)Nc2cc(N3CCCCC3)ncn2)c1OC
InChIInChI=1S/C18H23N5O3/c1-25-14-8-6-7-13(17(14)26-2)21-18(24)22-15-11-16(20-12-19-15)23-9-4-3-5-10-23/h6-8,11-12H,3-5,9-10H2,1-2H3,(H2,19,20,21,22,24)
InChIKeyWMHJKJRIUHOBEW-UHFFFAOYSA-N
MW357.41 g/mol
LogP3.13
Rot. Bonds5

About 1-(2,3-dimethoxyphenyl)-3-(6-piperidin-1-ylpyrimidin-4-yl)urea

1-(2,3-dimethoxyphenyl)-3-(6-piperidin-1-ylpyrimidin-4-yl)urea (PubChem CID 90544779) has the molecular formula C18H23N5O3 and a molecular weight of 357.41 g/mol. Its IUPAC name is 1-(2,3-dimethoxyphenyl)-3-(6-piperidin-1-ylpyrimidin-4-yl)urea.

Molecular Properties

Compound Name1-(2,3-dimethoxyphenyl)-3-(6-piperidin-1-ylpyrimidin-4-yl)urea
PubChem CID90544779
Molecular FormulaC18H23N5O3
Molecular Weight357.41 g/mol
Exact Mass357.18
IUPAC Name1-(2,3-dimethoxyphenyl)-3-(6-piperidin-1-ylpyrimidin-4-yl)urea
SMILESCOc1cccc(NC(=O)Nc2cc(N3CCCCC3)ncn2)c1OC
InChIInChI=1S/C18H23N5O3/c1-25-14-8-6-7-13(17(14)26-2)21-18(24)22-15-11-16(20-12-19-15)23-9-4-3-5-10-23/h6-8,11-12H,3-5,9-10H2,1-2H3,(H2,19,20,21,22,24)
InChIKeyWMHJKJRIUHOBEW-UHFFFAOYSA-N
XLogP3.13
TPSA88.61 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500357.41
LogP ≤ 53.13
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

1-(2-fluorophenyl)-3-(6-piperidin-1-ylpyrimidin-4-yl)urea
CID 90544753
1-(4-methoxyphenyl)-3-(6-piperidin-1-ylpyrimidin-4-yl)urea
CID 90544748
1-phenyl-3-(6-piperidin-1-ylpyrimidin-4-yl)urea
CID 90544742
2-methoxy-6-[[(6-piperidin-1-ylpyrimidin-4-yl)amino]methyl]phenol
CID 133448199
1-(6-morpholin-4-ylpyrimidin-4-yl)-3-naphthalen-1-ylurea
CID 701189
2-(2,3-dimethylphenoxy)-N-(6-piperidin-1-ylpyrimidin-4-yl)acetamide
CID 90544545
1-(3-fluorophenyl)-3-(6-pyrrolidin-1-ylpyrimidin-4-yl)urea
CID 90545095
N-[3-[[6-(azepan-1-yl)pyrimidin-4-yl]amino]phenyl]acetamide
CID 112864653
1-(6-morpholin-4-ylpyrimidin-4-yl)-3-(3,4,5-trimethoxyphenyl)urea
CID 90544408
6-(azepan-1-yl)-N-(3,4,5-trimethoxyphenyl)pyrimidin-4-amine
CID 112864677
1-[6-(4-methylpiperidin-1-yl)pyrimidin-4-yl]-3-(3,4,5-trimethoxyphenyl)urea
CID 90546257
3,4,5-trimethoxy-N-[6-(4-phenylpiperazin-1-yl)pyrimidin-4-yl]benzamide
CID 90545207

Frequently Asked Questions

What is the IUPAC name of 1-(2,3-dimethoxyphenyl)-3-(6-piperidin-1-ylpyrimidin-4-yl)urea?
The IUPAC name of 1-(2,3-dimethoxyphenyl)-3-(6-piperidin-1-ylpyrimidin-4-yl)urea (CID 90544779) is 1-(2,3-dimethoxyphenyl)-3-(6-piperidin-1-ylpyrimidin-4-yl)urea.
What is the SMILES notation for 1-(2,3-dimethoxyphenyl)-3-(6-piperidin-1-ylpyrimidin-4-yl)urea?
The canonical SMILES for 1-(2,3-dimethoxyphenyl)-3-(6-piperidin-1-ylpyrimidin-4-yl)urea is COc1cccc(NC(=O)Nc2cc(N3CCCCC3)ncn2)c1OC.
What is the InChIKey of 1-(2,3-dimethoxyphenyl)-3-(6-piperidin-1-ylpyrimidin-4-yl)urea?
The InChIKey is WMHJKJRIUHOBEW-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H23N5O3/c1-25-14-8-6-7-13(17(14)26-2)21-18(24)22-15-11-16(20-12-19-15)23-9-4-3-5-10-23/h6-8,11-12H,3-5,9-10H2,1-2H3,(H2,19,20,21,22,24).
What are the key properties of 1-(2,3-dimethoxyphenyl)-3-(6-piperidin-1-ylpyrimidin-4-yl)urea?
1-(2,3-dimethoxyphenyl)-3-(6-piperidin-1-ylpyrimidin-4-yl)urea has a molecular weight of 357.41 g/mol, XLogP of 3.13, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,3-dimethoxyphenyl)-3-(6-piperidin-1-ylpyrimidin-4-yl)urea is sourced from PubChem (CID 90544779), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).