1-(2-amino-5-methylpyrido[2,3-d]pyrimidin-7-yl)-3-cyclohexylurea

C15H20N6O — CID 141037416

IUPAC1-(2-amino-5-methylpyrido[2,3-d]pyrimidin-7-yl)-3-cyclohexylurea
SMILESCc1cc(NC(=O)NC2CCCCC2)nc2nc(N)ncc12
InChIInChI=1S/C15H20N6O/c1-9-7-12(19-13-11(9)8-17-14(16)21-13)20-15(22)18-10-5-3-2-4-6-10/h7-8,10H,2-6H2,1H3,(H4,16,17,18,19,20,21,22)
InChIKeyYCIYBWCDUULAMH-UHFFFAOYSA-N
MW300.37 g/mol
LogP2.37
Rot. Bonds2

About 1-(2-amino-5-methylpyrido[2,3-d]pyrimidin-7-yl)-3-cyclohexylurea

1-(2-amino-5-methylpyrido[2,3-d]pyrimidin-7-yl)-3-cyclohexylurea (PubChem CID 141037416) has the molecular formula C15H20N6O and a molecular weight of 300.37 g/mol. Its IUPAC name is 1-(2-amino-5-methylpyrido[2,3-d]pyrimidin-7-yl)-3-cyclohexylurea.

Molecular Properties

Compound Name1-(2-amino-5-methylpyrido[2,3-d]pyrimidin-7-yl)-3-cyclohexylurea
PubChem CID141037416
Molecular FormulaC15H20N6O
Molecular Weight300.37 g/mol
Exact Mass300.17
IUPAC Name1-(2-amino-5-methylpyrido[2,3-d]pyrimidin-7-yl)-3-cyclohexylurea
SMILESCc1cc(NC(=O)NC2CCCCC2)nc2nc(N)ncc12
InChIInChI=1S/C15H20N6O/c1-9-7-12(19-13-11(9)8-17-14(16)21-13)20-15(22)18-10-5-3-2-4-6-10/h7-8,10H,2-6H2,1H3,(H4,16,17,18,19,20,21,22)
InChIKeyYCIYBWCDUULAMH-UHFFFAOYSA-N
XLogP2.37
TPSA105.82 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.37
LogP ≤ 52.37
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Related Compounds

1-(2-amino-5-methylpyrido[2,3-d]pyrimidin-7-yl)-3-tert-butylurea
CID 141037413
1-cyclopentyl-3-[5-methyl-2-[3-[methyl-[3-(methylsulfonylmethyl)cyclobutyl]amino]anilino]pyrido[2,3-d]pyrimidin-7-yl]urea
CID 171546436
1-cycloheptyl-3-(2,4,6-trimethylphenyl)urea
CID 47132646
1-cyclododecyl-3-(5-methyl-1,2-oxazol-3-yl)urea
CID 108812118
1-cyclohexyl-3-[6-(cyclohexylcarbamoylamino)-2-pyridinyl]urea
CID 4149033
1-cyclohexyl-3-(5-methyl-1,3-thiazol-2-yl)urea
CID 16729615
1-(5-amino-2-bromo-4-methylphenyl)-3-cyclohexylurea
CID 104814743
1-(4-bromo-3,5-dimethylphenyl)-3-cyclobutylurea
CID 103582018
1-cyclopentyl-3-pyrido[2,3-d]pyrimidin-7-ylurea
CID 141037409
1-cyclopentyl-3-[5-ethynyl-2-[3-(methylamino)anilino]pyrido[2,3-d]pyrimidin-7-yl]urea
CID 171546411
1-cyclobutyl-3-(5-methyl-1,3-thiazol-2-yl)urea
CID 115617610
1-(3-chloro-5-methylphenyl)-3-cyclohexylurea
CID 143846785

Frequently Asked Questions

What is the IUPAC name of 1-(2-amino-5-methylpyrido[2,3-d]pyrimidin-7-yl)-3-cyclohexylurea?
The IUPAC name of 1-(2-amino-5-methylpyrido[2,3-d]pyrimidin-7-yl)-3-cyclohexylurea (CID 141037416) is 1-(2-amino-5-methylpyrido[2,3-d]pyrimidin-7-yl)-3-cyclohexylurea.
What is the SMILES notation for 1-(2-amino-5-methylpyrido[2,3-d]pyrimidin-7-yl)-3-cyclohexylurea?
The canonical SMILES for 1-(2-amino-5-methylpyrido[2,3-d]pyrimidin-7-yl)-3-cyclohexylurea is Cc1cc(NC(=O)NC2CCCCC2)nc2nc(N)ncc12.
What is the InChIKey of 1-(2-amino-5-methylpyrido[2,3-d]pyrimidin-7-yl)-3-cyclohexylurea?
The InChIKey is YCIYBWCDUULAMH-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20N6O/c1-9-7-12(19-13-11(9)8-17-14(16)21-13)20-15(22)18-10-5-3-2-4-6-10/h7-8,10H,2-6H2,1H3,(H4,16,17,18,19,20,21,22).
What are the key properties of 1-(2-amino-5-methylpyrido[2,3-d]pyrimidin-7-yl)-3-cyclohexylurea?
1-(2-amino-5-methylpyrido[2,3-d]pyrimidin-7-yl)-3-cyclohexylurea has a molecular weight of 300.37 g/mol, XLogP of 2.37, 2 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-amino-5-methylpyrido[2,3-d]pyrimidin-7-yl)-3-cyclohexylurea is sourced from PubChem (CID 141037416), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).