1-(6-morpholin-4-ylpyrimidin-4-yl)-3-naphthalen-1-ylurea

C19H19N5O2 — CID 701189

IUPAC1-(6-morpholin-4-ylpyrimidin-4-yl)-3-naphthalen-1-ylurea
SMILESO=C(Nc1cc(N2CCOCC2)ncn1)Nc1cccc2ccccc12
InChIInChI=1S/C19H19N5O2/c25-19(22-16-7-3-5-14-4-1-2-6-15(14)16)23-17-12-18(21-13-20-17)24-8-10-26-11-9-24/h1-7,12-13H,8-11H2,(H2,20,21,22,23,25)
InChIKeyOLHFULIZYILNQF-UHFFFAOYSA-N
MW349.39 g/mol
LogP3.11
Rot. Bonds3

About 1-(6-morpholin-4-ylpyrimidin-4-yl)-3-naphthalen-1-ylurea

1-(6-morpholin-4-ylpyrimidin-4-yl)-3-naphthalen-1-ylurea (PubChem CID 701189) has the molecular formula C19H19N5O2 and a molecular weight of 349.39 g/mol. Its IUPAC name is 1-(6-morpholin-4-ylpyrimidin-4-yl)-3-naphthalen-1-ylurea.

Molecular Properties

Compound Name1-(6-morpholin-4-ylpyrimidin-4-yl)-3-naphthalen-1-ylurea
PubChem CID701189
Molecular FormulaC19H19N5O2
Molecular Weight349.39 g/mol
Exact Mass349.15
IUPAC Name1-(6-morpholin-4-ylpyrimidin-4-yl)-3-naphthalen-1-ylurea
SMILESO=C(Nc1cc(N2CCOCC2)ncn1)Nc1cccc2ccccc12
InChIInChI=1S/C19H19N5O2/c25-19(22-16-7-3-5-14-4-1-2-6-15(14)16)23-17-12-18(21-13-20-17)24-8-10-26-11-9-24/h1-7,12-13H,8-11H2,(H2,20,21,22,23,25)
InChIKeyOLHFULIZYILNQF-UHFFFAOYSA-N
XLogP3.11
TPSA79.38 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500349.39
LogP ≤ 53.11
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N-(6-morpholin-4-ylpyrimidin-4-yl)naphthalene-2-carboxamide
CID 90544116
N-(6-morpholin-4-ylpyrimidin-4-yl)-3-phenylpropanamide
CID 90544169
2-(2-chlorophenyl)-N-(6-morpholin-4-ylpyrimidin-4-yl)acetamide
CID 71794834
1-(2,3-dimethoxyphenyl)-3-(6-piperidin-1-ylpyrimidin-4-yl)urea
CID 90544779
1-(6-morpholin-4-ylpyrimidin-4-yl)-3-(3,4,5-trimethoxyphenyl)urea
CID 90544408
2-chloro-N-(6-morpholin-4-ylpyrimidin-4-yl)benzamide
CID 90544108
1-(2-fluorophenyl)-3-(6-piperidin-1-ylpyrimidin-4-yl)urea
CID 90544753
2-(3-methylphenyl)-N-(6-morpholin-4-ylpyrimidin-4-yl)acetamide
CID 90544157
N-(6-morpholin-4-ylpyrimidin-4-yl)-2-pyrrol-1-ylacetamide
CID 71794861
N-(6-morpholin-4-ylpyrimidin-4-yl)-2-(4-oxoquinazolin-3-yl)acetamide
CID 71794855
2-(4-methoxyphenyl)-N-(6-morpholin-4-ylpyrimidin-4-yl)acetamide
CID 90544086
1-(3-fluoro-4-methylphenyl)-3-(6-morpholin-4-ylpyrimidin-4-yl)urea
CID 90544390

Frequently Asked Questions

What is the IUPAC name of 1-(6-morpholin-4-ylpyrimidin-4-yl)-3-naphthalen-1-ylurea?
The IUPAC name of 1-(6-morpholin-4-ylpyrimidin-4-yl)-3-naphthalen-1-ylurea (CID 701189) is 1-(6-morpholin-4-ylpyrimidin-4-yl)-3-naphthalen-1-ylurea.
What is the SMILES notation for 1-(6-morpholin-4-ylpyrimidin-4-yl)-3-naphthalen-1-ylurea?
The canonical SMILES for 1-(6-morpholin-4-ylpyrimidin-4-yl)-3-naphthalen-1-ylurea is O=C(Nc1cc(N2CCOCC2)ncn1)Nc1cccc2ccccc12.
What is the InChIKey of 1-(6-morpholin-4-ylpyrimidin-4-yl)-3-naphthalen-1-ylurea?
The InChIKey is OLHFULIZYILNQF-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H19N5O2/c25-19(22-16-7-3-5-14-4-1-2-6-15(14)16)23-17-12-18(21-13-20-17)24-8-10-26-11-9-24/h1-7,12-13H,8-11H2,(H2,20,21,22,23,25).
What are the key properties of 1-(6-morpholin-4-ylpyrimidin-4-yl)-3-naphthalen-1-ylurea?
1-(6-morpholin-4-ylpyrimidin-4-yl)-3-naphthalen-1-ylurea has a molecular weight of 349.39 g/mol, XLogP of 3.11, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(6-morpholin-4-ylpyrimidin-4-yl)-3-naphthalen-1-ylurea is sourced from PubChem (CID 701189), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).