N-(2,6-diethylphenyl)-2-(5-oxo-2-piperidin-1-ylpyrimido[4,5-d]pyrimidin-6-yl)butanamide

C25H32N6O2 — CID 53109793

IUPACN-(2,6-diethylphenyl)-2-(5-oxo-2-piperidin-1-ylpyrimido[4,5-d]pyrimidin-6-yl)butanamide
SMILESCCc1cccc(CC)c1NC(=O)C(CC)n1cnc2nc(N3CCCCC3)ncc2c1=O
InChIInChI=1S/C25H32N6O2/c1-4-17-11-10-12-18(5-2)21(17)28-23(32)20(6-3)31-16-27-22-19(24(31)33)15-26-25(29-22)30-13-8-7-9-14-30/h10-12,15-16,20H,4-9,13-14H2,1-3H3,(H,28,32)
InChIKeyLRJUSKQKJLHXJE-UHFFFAOYSA-N
MW448.57 g/mol
LogP3.89
Rot. Bonds7

About N-(2,6-diethylphenyl)-2-(5-oxo-2-piperidin-1-ylpyrimido[4,5-d]pyrimidin-6-yl)butanamide

N-(2,6-diethylphenyl)-2-(5-oxo-2-piperidin-1-ylpyrimido[4,5-d]pyrimidin-6-yl)butanamide (PubChem CID 53109793) has the molecular formula C25H32N6O2 and a molecular weight of 448.57 g/mol. Its IUPAC name is N-(2,6-diethylphenyl)-2-(5-oxo-2-piperidin-1-ylpyrimido[4,5-d]pyrimidin-6-yl)butanamide.

Molecular Properties

Compound NameN-(2,6-diethylphenyl)-2-(5-oxo-2-piperidin-1-ylpyrimido[4,5-d]pyrimidin-6-yl)butanamide
PubChem CID53109793
Molecular FormulaC25H32N6O2
Molecular Weight448.57 g/mol
Exact Mass448.26
IUPAC NameN-(2,6-diethylphenyl)-2-(5-oxo-2-piperidin-1-ylpyrimido[4,5-d]pyrimidin-6-yl)butanamide
SMILESCCc1cccc(CC)c1NC(=O)C(CC)n1cnc2nc(N3CCCCC3)ncc2c1=O
InChIInChI=1S/C25H32N6O2/c1-4-17-11-10-12-18(5-2)21(17)28-23(32)20(6-3)31-16-27-22-19(24(31)33)15-26-25(29-22)30-13-8-7-9-14-30/h10-12,15-16,20H,4-9,13-14H2,1-3H3,(H,28,32)
InChIKeyLRJUSKQKJLHXJE-UHFFFAOYSA-N
XLogP3.89
TPSA93.01 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500448.57
LogP ≤ 53.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

N-(2,6-dimethylphenyl)-2-(5-oxo-2-piperidin-1-ylpyrimido[4,5-d]pyrimidin-6-yl)butanamide
CID 53109798
(2S)-N-(3-chloro-2-methylphenyl)-2-(4-oxo-6,7,8,9-tetrahydropyrimido[4,5-b]quinolin-3-yl)butanamide
CID 92892797
ethyl 2-[[2-(5-oxo-2-pyrrolidin-1-ylpyrimido[4,5-d]pyrimidin-6-yl)acetyl]amino]benzoate
CID 50826180
N-(2,6-diethylphenyl)-5-piperidin-1-ylpyridine-2-carboxamide
CID 109182816
N-(2,6-diethylphenyl)-6-methyl-2-piperidin-1-ylpyrimidine-4-carboxamide
CID 109322349
(2R)-N-(4-methoxyphenyl)-2-(4-oxo-6,7,8,9-tetrahydropyrimido[4,5-b]quinolin-3-yl)butanamide
CID 92875609
N-(2,4-dimethoxyphenyl)-2-(5-oxo-2-pyrrolidin-1-ylpyrimido[4,5-d]pyrimidin-6-yl)acetamide
CID 50826202
2-(azepan-1-yl)-N-(2-ethyl-6-methylphenyl)pyrimidin-4-amine
CID 112901638
(2R)-2-(4-oxoquinazolin-3-yl)-N-(4-propan-2-ylphenyl)butanamide
CID 7579540
2-(azepan-1-yl)-N-(2-ethyl-6-methylphenyl)-6-methylpyrimidine-4-carboxamide
CID 109334362
(2S)-2-(4-oxoquinazolin-3-yl)-N-(4-propan-2-ylphenyl)butanamide
CID 7579532
(2S)-N-(2-ethylphenyl)-2-(6-oxo-8-thia-3,5,10-triazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,10,12-pentaen-5-yl)butanamide
CID 94069434

Frequently Asked Questions

What is the IUPAC name of N-(2,6-diethylphenyl)-2-(5-oxo-2-piperidin-1-ylpyrimido[4,5-d]pyrimidin-6-yl)butanamide?
The IUPAC name of N-(2,6-diethylphenyl)-2-(5-oxo-2-piperidin-1-ylpyrimido[4,5-d]pyrimidin-6-yl)butanamide (CID 53109793) is N-(2,6-diethylphenyl)-2-(5-oxo-2-piperidin-1-ylpyrimido[4,5-d]pyrimidin-6-yl)butanamide.
What is the SMILES notation for N-(2,6-diethylphenyl)-2-(5-oxo-2-piperidin-1-ylpyrimido[4,5-d]pyrimidin-6-yl)butanamide?
The canonical SMILES for N-(2,6-diethylphenyl)-2-(5-oxo-2-piperidin-1-ylpyrimido[4,5-d]pyrimidin-6-yl)butanamide is CCc1cccc(CC)c1NC(=O)C(CC)n1cnc2nc(N3CCCCC3)ncc2c1=O.
What is the InChIKey of N-(2,6-diethylphenyl)-2-(5-oxo-2-piperidin-1-ylpyrimido[4,5-d]pyrimidin-6-yl)butanamide?
The InChIKey is LRJUSKQKJLHXJE-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H32N6O2/c1-4-17-11-10-12-18(5-2)21(17)28-23(32)20(6-3)31-16-27-22-19(24(31)33)15-26-25(29-22)30-13-8-7-9-14-30/h10-12,15-16,20H,4-9,13-14H2,1-3H3,(H,28,32).
What are the key properties of N-(2,6-diethylphenyl)-2-(5-oxo-2-piperidin-1-ylpyrimido[4,5-d]pyrimidin-6-yl)butanamide?
N-(2,6-diethylphenyl)-2-(5-oxo-2-piperidin-1-ylpyrimido[4,5-d]pyrimidin-6-yl)butanamide has a molecular weight of 448.57 g/mol, XLogP of 3.89, 7 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,6-diethylphenyl)-2-(5-oxo-2-piperidin-1-ylpyrimido[4,5-d]pyrimidin-6-yl)butanamide is sourced from PubChem (CID 53109793), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).