1-[4-[(7-oxo-8H-pyrido[2,3-d]pyrimidin-2-yl)amino]cyclohexyl]-3-propan-2-ylurea

C17H24N6O2 — CID 118146817

IUPAC1-[4-[(7-oxo-8H-pyrido[2,3-d]pyrimidin-2-yl)amino]cyclohexyl]-3-propan-2-ylurea
SMILESCC(C)NC(=O)NC1CCC(Nc2ncc3ccc(=O)[nH]c3n2)CC1
InChIInChI=1S/C17H24N6O2/c1-10(2)19-17(25)21-13-6-4-12(5-7-13)20-16-18-9-11-3-8-14(24)22-15(11)23-16/h3,8-10,12-13H,4-7H2,1-2H3,(H2,19,21,25)(H2,18,20,22,23,24)
InChIKeyZERPCBZTDATMJJ-UHFFFAOYSA-N
MW344.42 g/mol
LogP1.75
Rot. Bonds4

About 1-[4-[(7-oxo-8H-pyrido[2,3-d]pyrimidin-2-yl)amino]cyclohexyl]-3-propan-2-ylurea

1-[4-[(7-oxo-8H-pyrido[2,3-d]pyrimidin-2-yl)amino]cyclohexyl]-3-propan-2-ylurea (PubChem CID 118146817) has the molecular formula C17H24N6O2 and a molecular weight of 344.42 g/mol. Its IUPAC name is 1-[4-[(7-oxo-8H-pyrido[2,3-d]pyrimidin-2-yl)amino]cyclohexyl]-3-propan-2-ylurea.

Molecular Properties

Compound Name1-[4-[(7-oxo-8H-pyrido[2,3-d]pyrimidin-2-yl)amino]cyclohexyl]-3-propan-2-ylurea
PubChem CID118146817
Molecular FormulaC17H24N6O2
Molecular Weight344.42 g/mol
Exact Mass344.20
IUPAC Name1-[4-[(7-oxo-8H-pyrido[2,3-d]pyrimidin-2-yl)amino]cyclohexyl]-3-propan-2-ylurea
SMILESCC(C)NC(=O)NC1CCC(Nc2ncc3ccc(=O)[nH]c3n2)CC1
InChIInChI=1S/C17H24N6O2/c1-10(2)19-17(25)21-13-6-4-12(5-7-13)20-16-18-9-11-3-8-14(24)22-15(11)23-16/h3,8-10,12-13H,4-7H2,1-2H3,(H2,19,21,25)(H2,18,20,22,23,24)
InChIKeyZERPCBZTDATMJJ-UHFFFAOYSA-N
XLogP1.75
TPSA111.80 Ų
H-Bond Donors4
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500344.42
LogP ≤ 51.75
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 105

Analyze 1-[4-[(7-oxo-8H-pyrido[2,3-d]pyrimidin-2-yl)amino]cyclohexyl]-3-propan-2-ylurea with MolForge

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Frequently Asked Questions

What is the IUPAC name of 1-[4-[(7-oxo-8H-pyrido[2,3-d]pyrimidin-2-yl)amino]cyclohexyl]-3-propan-2-ylurea?
The IUPAC name of 1-[4-[(7-oxo-8H-pyrido[2,3-d]pyrimidin-2-yl)amino]cyclohexyl]-3-propan-2-ylurea (CID 118146817) is 1-[4-[(7-oxo-8H-pyrido[2,3-d]pyrimidin-2-yl)amino]cyclohexyl]-3-propan-2-ylurea.
What is the SMILES notation for 1-[4-[(7-oxo-8H-pyrido[2,3-d]pyrimidin-2-yl)amino]cyclohexyl]-3-propan-2-ylurea?
The canonical SMILES for 1-[4-[(7-oxo-8H-pyrido[2,3-d]pyrimidin-2-yl)amino]cyclohexyl]-3-propan-2-ylurea is CC(C)NC(=O)NC1CCC(Nc2ncc3ccc(=O)[nH]c3n2)CC1.
What is the InChIKey of 1-[4-[(7-oxo-8H-pyrido[2,3-d]pyrimidin-2-yl)amino]cyclohexyl]-3-propan-2-ylurea?
The InChIKey is ZERPCBZTDATMJJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H24N6O2/c1-10(2)19-17(25)21-13-6-4-12(5-7-13)20-16-18-9-11-3-8-14(24)22-15(11)23-16/h3,8-10,12-13H,4-7H2,1-2H3,(H2,19,21,25)(H2,18,20,22,23,24).
What are the key properties of 1-[4-[(7-oxo-8H-pyrido[2,3-d]pyrimidin-2-yl)amino]cyclohexyl]-3-propan-2-ylurea?
1-[4-[(7-oxo-8H-pyrido[2,3-d]pyrimidin-2-yl)amino]cyclohexyl]-3-propan-2-ylurea has a molecular weight of 344.42 g/mol, XLogP of 1.75, 4 rotatable bonds, 4 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-[(7-oxo-8H-pyrido[2,3-d]pyrimidin-2-yl)amino]cyclohexyl]-3-propan-2-ylurea is sourced from PubChem (CID 118146817), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).