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

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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).