1-(4-chloro-6-propan-2-ylpyrimidin-2-yl)-3-naphthalen-2-ylurea

C18H17ClN4O — CID 134284631

IUPAC1-(4-chloro-6-propan-2-ylpyrimidin-2-yl)-3-naphthalen-2-ylurea
SMILESCC(C)c1cc(Cl)nc(NC(=O)Nc2ccc3ccccc3c2)n1
InChIInChI=1S/C18H17ClN4O/c1-11(2)15-10-16(19)22-17(21-15)23-18(24)20-14-8-7-12-5-3-4-6-13(12)9-14/h3-11H,1-2H3,(H2,20,21,22,23,24)
InChIKeyTYHBUKMTYIKDNV-UHFFFAOYSA-N
MW340.81 g/mol
LogP5.05
Rot. Bonds3

About 1-(4-chloro-6-propan-2-ylpyrimidin-2-yl)-3-naphthalen-2-ylurea

1-(4-chloro-6-propan-2-ylpyrimidin-2-yl)-3-naphthalen-2-ylurea (PubChem CID 134284631) has the molecular formula C18H17ClN4O and a molecular weight of 340.81 g/mol. Its IUPAC name is 1-(4-chloro-6-propan-2-ylpyrimidin-2-yl)-3-naphthalen-2-ylurea.

Molecular Properties

Compound Name1-(4-chloro-6-propan-2-ylpyrimidin-2-yl)-3-naphthalen-2-ylurea
PubChem CID134284631
Molecular FormulaC18H17ClN4O
Molecular Weight340.81 g/mol
Exact Mass340.11
IUPAC Name1-(4-chloro-6-propan-2-ylpyrimidin-2-yl)-3-naphthalen-2-ylurea
SMILESCC(C)c1cc(Cl)nc(NC(=O)Nc2ccc3ccccc3c2)n1
InChIInChI=1S/C18H17ClN4O/c1-11(2)15-10-16(19)22-17(21-15)23-18(24)20-14-8-7-12-5-3-4-6-13(12)9-14/h3-11H,1-2H3,(H2,20,21,22,23,24)
InChIKeyTYHBUKMTYIKDNV-UHFFFAOYSA-N
XLogP5.05
TPSA66.91 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500340.81
LogP ≤ 55.05
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

1-methyl-3-naphthalen-2-ylurea
CID 3454681
1-(3,4-dimethylphenyl)-3-naphthalen-2-ylurea
CID 108894077
1-(4-tert-butylphenyl)-3-naphthalen-2-ylurea
CID 108884834
1-naphthalen-2-yl-3-(1-phenylethyl)urea
CID 78400043
1-naphthalen-2-yl-3-(1-pyridin-4-ylethyl)urea
CID 45147279
1-(3,5-dihydroxyphenyl)-3-naphthalen-2-ylurea
CID 108895519
methyl N-[2-[[6-methyl-2-(naphthalen-2-ylcarbamoylamino)pyrimidin-4-yl]amino]ethyl]carbamate
CID 166708829
1-(3-hydroxybutyl)-3-naphthalen-2-ylurea
CID 111336742
1-(4-tert-butylphenyl)-3-(4-chloro-6-methylpyrimidin-2-yl)urea
CID 122507249
1-[4-(4-aminobutylamino)-6-methylpyrimidin-2-yl]-3-naphthalen-2-ylurea
CID 157424648
1-[4-methyl-6-[3-(methylamino)propylamino]pyrimidin-2-yl]-3-naphthalen-2-ylurea
CID 134284700
(2R)-2-amino-3-methyl-N-naphthalen-2-ylbutanamide
CID 671224

Frequently Asked Questions

What is the IUPAC name of 1-(4-chloro-6-propan-2-ylpyrimidin-2-yl)-3-naphthalen-2-ylurea?
The IUPAC name of 1-(4-chloro-6-propan-2-ylpyrimidin-2-yl)-3-naphthalen-2-ylurea (CID 134284631) is 1-(4-chloro-6-propan-2-ylpyrimidin-2-yl)-3-naphthalen-2-ylurea.
What is the SMILES notation for 1-(4-chloro-6-propan-2-ylpyrimidin-2-yl)-3-naphthalen-2-ylurea?
The canonical SMILES for 1-(4-chloro-6-propan-2-ylpyrimidin-2-yl)-3-naphthalen-2-ylurea is CC(C)c1cc(Cl)nc(NC(=O)Nc2ccc3ccccc3c2)n1.
What is the InChIKey of 1-(4-chloro-6-propan-2-ylpyrimidin-2-yl)-3-naphthalen-2-ylurea?
The InChIKey is TYHBUKMTYIKDNV-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H17ClN4O/c1-11(2)15-10-16(19)22-17(21-15)23-18(24)20-14-8-7-12-5-3-4-6-13(12)9-14/h3-11H,1-2H3,(H2,20,21,22,23,24).
What are the key properties of 1-(4-chloro-6-propan-2-ylpyrimidin-2-yl)-3-naphthalen-2-ylurea?
1-(4-chloro-6-propan-2-ylpyrimidin-2-yl)-3-naphthalen-2-ylurea has a molecular weight of 340.81 g/mol, XLogP of 5.05, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-chloro-6-propan-2-ylpyrimidin-2-yl)-3-naphthalen-2-ylurea is sourced from PubChem (CID 134284631), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).