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

C20H30N6O2 — CID 91754590

IUPAC1-[4-[(7-oxo-8-propan-2-ylpyrido[2,3-d]pyrimidin-2-yl)amino]cyclohexyl]-3-propan-2-ylurea
SMILESCC(C)NC(=O)NC1CCC(Nc2ncc3ccc(=O)n(C(C)C)c3n2)CC1
InChIInChI=1S/C20H30N6O2/c1-12(2)22-20(28)24-16-8-6-15(7-9-16)23-19-21-11-14-5-10-17(27)26(13(3)4)18(14)25-19/h5,10-13,15-16H,6-9H2,1-4H3,(H,21,23,25)(H2,22,24,28)
InChIKeyFJVVBMGXZMJPOI-UHFFFAOYSA-N
MW386.50 g/mol
LogP2.80
Rot. Bonds5

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

1-[4-[(7-oxo-8-propan-2-ylpyrido[2,3-d]pyrimidin-2-yl)amino]cyclohexyl]-3-propan-2-ylurea (PubChem CID 91754590) has the molecular formula C20H30N6O2 and a molecular weight of 386.50 g/mol. Its IUPAC name is 1-[4-[(7-oxo-8-propan-2-ylpyrido[2,3-d]pyrimidin-2-yl)amino]cyclohexyl]-3-propan-2-ylurea.

Molecular Properties

Compound Name1-[4-[(7-oxo-8-propan-2-ylpyrido[2,3-d]pyrimidin-2-yl)amino]cyclohexyl]-3-propan-2-ylurea
PubChem CID91754590
Molecular FormulaC20H30N6O2
Molecular Weight386.50 g/mol
Exact Mass386.24
IUPAC Name1-[4-[(7-oxo-8-propan-2-ylpyrido[2,3-d]pyrimidin-2-yl)amino]cyclohexyl]-3-propan-2-ylurea
SMILESCC(C)NC(=O)NC1CCC(Nc2ncc3ccc(=O)n(C(C)C)c3n2)CC1
InChIInChI=1S/C20H30N6O2/c1-12(2)22-20(28)24-16-8-6-15(7-9-16)23-19-21-11-14-5-10-17(27)26(13(3)4)18(14)25-19/h5,10-13,15-16H,6-9H2,1-4H3,(H,21,23,25)(H2,22,24,28)
InChIKeyFJVVBMGXZMJPOI-UHFFFAOYSA-N
XLogP2.80
TPSA100.94 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500386.50
LogP ≤ 52.80
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

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

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Related Compounds

1-{trans-4-[(8-Cyclopentyl-7-Oxo-7,8-Dihydropyrido[2,3-D]pyrimidin-2-Yl)amino]cyclohexyl}-3-Propan-2-Ylurea
CID 91754589
US10233188, Example 1
CID 134247531
US10233188, Example 21
CID 134247563
US10233188, Example 135
CID 134247622
US10233188, Example 19
CID 134253053
US10233188, Example 22
CID 134253054
US10233188, Example 29
CID 134253056
US10233188, Example 36
CID 134253062
C2 Pyrido[2,3-d]pyrimidin-7-one deriv. 15
CID 5330201
C2 Pyrido[2,3-d]pyrimidin-7-one deriv. 16
CID 5330202
C2 Pyrido[2,3-d]pyrimidin-7-one deriv. 17
CID 5330203
1-cyclohexyl-5-{[2-(methylthio)-5-pyrimidinyl]methylene}-2,4,6(1H,3H,5H)-pyrimidinetrione
CID 885031

Frequently Asked Questions

What is the IUPAC name of 1-[4-[(7-oxo-8-propan-2-ylpyrido[2,3-d]pyrimidin-2-yl)amino]cyclohexyl]-3-propan-2-ylurea?
The IUPAC name of 1-[4-[(7-oxo-8-propan-2-ylpyrido[2,3-d]pyrimidin-2-yl)amino]cyclohexyl]-3-propan-2-ylurea (CID 91754590) is 1-[4-[(7-oxo-8-propan-2-ylpyrido[2,3-d]pyrimidin-2-yl)amino]cyclohexyl]-3-propan-2-ylurea.
What is the SMILES notation for 1-[4-[(7-oxo-8-propan-2-ylpyrido[2,3-d]pyrimidin-2-yl)amino]cyclohexyl]-3-propan-2-ylurea?
The canonical SMILES for 1-[4-[(7-oxo-8-propan-2-ylpyrido[2,3-d]pyrimidin-2-yl)amino]cyclohexyl]-3-propan-2-ylurea is CC(C)NC(=O)NC1CCC(Nc2ncc3ccc(=O)n(C(C)C)c3n2)CC1.
What is the InChIKey of 1-[4-[(7-oxo-8-propan-2-ylpyrido[2,3-d]pyrimidin-2-yl)amino]cyclohexyl]-3-propan-2-ylurea?
The InChIKey is FJVVBMGXZMJPOI-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H30N6O2/c1-12(2)22-20(28)24-16-8-6-15(7-9-16)23-19-21-11-14-5-10-17(27)26(13(3)4)18(14)25-19/h5,10-13,15-16H,6-9H2,1-4H3,(H,21,23,25)(H2,22,24,28).
What are the key properties of 1-[4-[(7-oxo-8-propan-2-ylpyrido[2,3-d]pyrimidin-2-yl)amino]cyclohexyl]-3-propan-2-ylurea?
1-[4-[(7-oxo-8-propan-2-ylpyrido[2,3-d]pyrimidin-2-yl)amino]cyclohexyl]-3-propan-2-ylurea has a molecular weight of 386.50 g/mol, XLogP of 2.80, 5 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-[(7-oxo-8-propan-2-ylpyrido[2,3-d]pyrimidin-2-yl)amino]cyclohexyl]-3-propan-2-ylurea is sourced from PubChem (CID 91754590), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).