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

C19H28N6O2 — CID 118146747

IUPAC1-ethyl-3-[4-[(7-oxo-8-propan-2-ylpyrido[2,3-d]pyrimidin-2-yl)amino]cyclohexyl]urea
SMILESCCNC(=O)NC1CCC(Nc2ncc3ccc(=O)n(C(C)C)c3n2)CC1
InChIInChI=1S/C19H28N6O2/c1-4-20-19(27)23-15-8-6-14(7-9-15)22-18-21-11-13-5-10-16(26)25(12(2)3)17(13)24-18/h5,10-12,14-15H,4,6-9H2,1-3H3,(H2,20,23,27)(H,21,22,24)
InChIKeyVGQNDBIBHCCFKP-UHFFFAOYSA-N
MW372.47 g/mol
LogP2.41
Rot. Bonds5

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

1-ethyl-3-[4-[(7-oxo-8-propan-2-ylpyrido[2,3-d]pyrimidin-2-yl)amino]cyclohexyl]urea (PubChem CID 118146747) has the molecular formula C19H28N6O2 and a molecular weight of 372.47 g/mol. Its IUPAC name is 1-ethyl-3-[4-[(7-oxo-8-propan-2-ylpyrido[2,3-d]pyrimidin-2-yl)amino]cyclohexyl]urea.

Molecular Properties

Compound Name1-ethyl-3-[4-[(7-oxo-8-propan-2-ylpyrido[2,3-d]pyrimidin-2-yl)amino]cyclohexyl]urea
PubChem CID118146747
Molecular FormulaC19H28N6O2
Molecular Weight372.47 g/mol
Exact Mass372.23
IUPAC Name1-ethyl-3-[4-[(7-oxo-8-propan-2-ylpyrido[2,3-d]pyrimidin-2-yl)amino]cyclohexyl]urea
SMILESCCNC(=O)NC1CCC(Nc2ncc3ccc(=O)n(C(C)C)c3n2)CC1
InChIInChI=1S/C19H28N6O2/c1-4-20-19(27)23-15-8-6-14(7-9-15)22-18-21-11-13-5-10-16(26)25(12(2)3)17(13)24-18/h5,10-12,14-15H,4,6-9H2,1-3H3,(H2,20,23,27)(H,21,22,24)
InChIKeyVGQNDBIBHCCFKP-UHFFFAOYSA-N
XLogP2.41
TPSA100.94 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500372.47
LogP ≤ 52.41
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

Analyze 1-ethyl-3-[4-[(7-oxo-8-propan-2-ylpyrido[2,3-d]pyrimidin-2-yl)amino]cyclohexyl]urea 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
1-(Trans-4-{[7-Oxo-8-(Propan-2-Yl)-7,8-Dihydropyrido[2,3-D]pyrimidin-2-Yl]amino}cyclohexyl)-3-Propan-2-Ylurea
CID 91754590
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

Frequently Asked Questions

What is the IUPAC name of 1-ethyl-3-[4-[(7-oxo-8-propan-2-ylpyrido[2,3-d]pyrimidin-2-yl)amino]cyclohexyl]urea?
The IUPAC name of 1-ethyl-3-[4-[(7-oxo-8-propan-2-ylpyrido[2,3-d]pyrimidin-2-yl)amino]cyclohexyl]urea (CID 118146747) is 1-ethyl-3-[4-[(7-oxo-8-propan-2-ylpyrido[2,3-d]pyrimidin-2-yl)amino]cyclohexyl]urea.
What is the SMILES notation for 1-ethyl-3-[4-[(7-oxo-8-propan-2-ylpyrido[2,3-d]pyrimidin-2-yl)amino]cyclohexyl]urea?
The canonical SMILES for 1-ethyl-3-[4-[(7-oxo-8-propan-2-ylpyrido[2,3-d]pyrimidin-2-yl)amino]cyclohexyl]urea is CCNC(=O)NC1CCC(Nc2ncc3ccc(=O)n(C(C)C)c3n2)CC1.
What is the InChIKey of 1-ethyl-3-[4-[(7-oxo-8-propan-2-ylpyrido[2,3-d]pyrimidin-2-yl)amino]cyclohexyl]urea?
The InChIKey is VGQNDBIBHCCFKP-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H28N6O2/c1-4-20-19(27)23-15-8-6-14(7-9-15)22-18-21-11-13-5-10-16(26)25(12(2)3)17(13)24-18/h5,10-12,14-15H,4,6-9H2,1-3H3,(H2,20,23,27)(H,21,22,24).
What are the key properties of 1-ethyl-3-[4-[(7-oxo-8-propan-2-ylpyrido[2,3-d]pyrimidin-2-yl)amino]cyclohexyl]urea?
1-ethyl-3-[4-[(7-oxo-8-propan-2-ylpyrido[2,3-d]pyrimidin-2-yl)amino]cyclohexyl]urea has a molecular weight of 372.47 g/mol, XLogP of 2.41, 5 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-ethyl-3-[4-[(7-oxo-8-propan-2-ylpyrido[2,3-d]pyrimidin-2-yl)amino]cyclohexyl]urea is sourced from PubChem (CID 118146747), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).