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

C22H34N6O2 — CID 123452538

IUPAC1-ethyl-3-[4-[(7-oxo-8-propan-2-yl-4-propylpyrido[2,3-d]pyrimidin-2-yl)amino]cyclohexyl]urea
SMILESCCCc1nc(NC2CCC(NC(=O)NCC)CC2)nc2c1ccc(=O)n2C(C)C
InChIInChI=1S/C22H34N6O2/c1-5-7-18-17-12-13-19(29)28(14(3)4)20(17)27-21(26-18)24-15-8-10-16(11-9-15)25-22(30)23-6-2/h12-16H,5-11H2,1-4H3,(H2,23,25,30)(H,24,26,27)
InChIKeyODZMPDBNHGHIIN-UHFFFAOYSA-N
MW414.55 g/mol
LogP3.37
Rot. Bonds7

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

1-ethyl-3-[4-[(7-oxo-8-propan-2-yl-4-propylpyrido[2,3-d]pyrimidin-2-yl)amino]cyclohexyl]urea (PubChem CID 123452538) has the molecular formula C22H34N6O2 and a molecular weight of 414.55 g/mol. Its IUPAC name is 1-ethyl-3-[4-[(7-oxo-8-propan-2-yl-4-propylpyrido[2,3-d]pyrimidin-2-yl)amino]cyclohexyl]urea.

Molecular Properties

Compound Name1-ethyl-3-[4-[(7-oxo-8-propan-2-yl-4-propylpyrido[2,3-d]pyrimidin-2-yl)amino]cyclohexyl]urea
PubChem CID123452538
Molecular FormulaC22H34N6O2
Molecular Weight414.55 g/mol
Exact Mass414.27
IUPAC Name1-ethyl-3-[4-[(7-oxo-8-propan-2-yl-4-propylpyrido[2,3-d]pyrimidin-2-yl)amino]cyclohexyl]urea
SMILESCCCc1nc(NC2CCC(NC(=O)NCC)CC2)nc2c1ccc(=O)n2C(C)C
InChIInChI=1S/C22H34N6O2/c1-5-7-18-17-12-13-19(29)28(14(3)4)20(17)27-21(26-18)24-15-8-10-16(11-9-15)25-22(30)23-6-2/h12-16H,5-11H2,1-4H3,(H2,23,25,30)(H,24,26,27)
InChIKeyODZMPDBNHGHIIN-UHFFFAOYSA-N
XLogP3.37
TPSA100.94 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500414.55
LogP ≤ 53.37
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

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

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Related Compounds

2-amino-4-methyl-6-(2-oxo-1H-pyrimidin-5-yl)-8-propan-2-ylpyrido[2,3-d]pyrimidin-7-one
CID 59258868
3-[8-Cyclopentyl-2-(ethylamino)-4-methyl-7-oxopyrido[2,3-d]pyrimidin-6-yl]propanamide
CID 59258902
US10202360, Example 324
CID 132007975
US10202360, Example 327
CID 132033156
US10202360, Example 329
CID 132033212
1-(3-{[2-(dimethylamino)-6,7,8,9-tetrahydro-5H-pyrimido[4,5-d]azepin-4-yl]amino}propyl)-6-methylpyridin-2(1H)-one
CID 56905757
N~3~-(2-amino-6-ethyl-5-methylpyrimidin-4-yl)-N~1~-cyclohexyl-beta-alaninamide
CID 72885252
US10202360, Example 326
CID 132033613
8-Cyclopentyl-2-(4-fluoroanilino)-4-methylpyrido[2,3-d]pyrimidin-7-one
CID 16124333
N-{4-[(8-Ethyl-4-methyl-7-oxo-7,8-dihydropyrido[2,3-d]pyrimidin-2-yl)amino]phenyl}-2,2,2-trifluoroacetamide
CID 25096178
8-Ethyl-2-(4-fluoroanilino)-4,6-dimethylpyrido[2,3-d]pyrimidin-7-one
CID 70665922
8-Ethyl-2-(ethylamino)-6-(4-ethyl-2-fluorocyclohexa-1,5-dien-1-yl)-4-methylpyrido[2,3-d]pyrimidin-7-one
CID 123436499

Frequently Asked Questions

What is the IUPAC name of 1-ethyl-3-[4-[(7-oxo-8-propan-2-yl-4-propylpyrido[2,3-d]pyrimidin-2-yl)amino]cyclohexyl]urea?
The IUPAC name of 1-ethyl-3-[4-[(7-oxo-8-propan-2-yl-4-propylpyrido[2,3-d]pyrimidin-2-yl)amino]cyclohexyl]urea (CID 123452538) is 1-ethyl-3-[4-[(7-oxo-8-propan-2-yl-4-propylpyrido[2,3-d]pyrimidin-2-yl)amino]cyclohexyl]urea.
What is the SMILES notation for 1-ethyl-3-[4-[(7-oxo-8-propan-2-yl-4-propylpyrido[2,3-d]pyrimidin-2-yl)amino]cyclohexyl]urea?
The canonical SMILES for 1-ethyl-3-[4-[(7-oxo-8-propan-2-yl-4-propylpyrido[2,3-d]pyrimidin-2-yl)amino]cyclohexyl]urea is CCCc1nc(NC2CCC(NC(=O)NCC)CC2)nc2c1ccc(=O)n2C(C)C.
What is the InChIKey of 1-ethyl-3-[4-[(7-oxo-8-propan-2-yl-4-propylpyrido[2,3-d]pyrimidin-2-yl)amino]cyclohexyl]urea?
The InChIKey is ODZMPDBNHGHIIN-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H34N6O2/c1-5-7-18-17-12-13-19(29)28(14(3)4)20(17)27-21(26-18)24-15-8-10-16(11-9-15)25-22(30)23-6-2/h12-16H,5-11H2,1-4H3,(H2,23,25,30)(H,24,26,27).
What are the key properties of 1-ethyl-3-[4-[(7-oxo-8-propan-2-yl-4-propylpyrido[2,3-d]pyrimidin-2-yl)amino]cyclohexyl]urea?
1-ethyl-3-[4-[(7-oxo-8-propan-2-yl-4-propylpyrido[2,3-d]pyrimidin-2-yl)amino]cyclohexyl]urea has a molecular weight of 414.55 g/mol, XLogP of 3.37, 7 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-yl-4-propylpyrido[2,3-d]pyrimidin-2-yl)amino]cyclohexyl]urea is sourced from PubChem (CID 123452538), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).