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

C23H28N6O2 — CID 53109798

IUPACN-(2,6-dimethylphenyl)-2-(5-oxo-2-piperidin-1-ylpyrimido[4,5-d]pyrimidin-6-yl)butanamide
SMILESCCC(C(=O)Nc1c(C)cccc1C)n1cnc2nc(N3CCCCC3)ncc2c1=O
InChIInChI=1S/C23H28N6O2/c1-4-18(21(30)26-19-15(2)9-8-10-16(19)3)29-14-25-20-17(22(29)31)13-24-23(27-20)28-11-6-5-7-12-28/h8-10,13-14,18H,4-7,11-12H2,1-3H3,(H,26,30)
InChIKeyMARFBDNMXKVYGZ-UHFFFAOYSA-N
MW420.52 g/mol
LogP3.38
Rot. Bonds5

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

N-(2,6-dimethylphenyl)-2-(5-oxo-2-piperidin-1-ylpyrimido[4,5-d]pyrimidin-6-yl)butanamide (PubChem CID 53109798) has the molecular formula C23H28N6O2 and a molecular weight of 420.52 g/mol. Its IUPAC name is N-(2,6-dimethylphenyl)-2-(5-oxo-2-piperidin-1-ylpyrimido[4,5-d]pyrimidin-6-yl)butanamide.

Molecular Properties

Compound NameN-(2,6-dimethylphenyl)-2-(5-oxo-2-piperidin-1-ylpyrimido[4,5-d]pyrimidin-6-yl)butanamide
PubChem CID53109798
Molecular FormulaC23H28N6O2
Molecular Weight420.52 g/mol
Exact Mass420.23
IUPAC NameN-(2,6-dimethylphenyl)-2-(5-oxo-2-piperidin-1-ylpyrimido[4,5-d]pyrimidin-6-yl)butanamide
SMILESCCC(C(=O)Nc1c(C)cccc1C)n1cnc2nc(N3CCCCC3)ncc2c1=O
InChIInChI=1S/C23H28N6O2/c1-4-18(21(30)26-19-15(2)9-8-10-16(19)3)29-14-25-20-17(22(29)31)13-24-23(27-20)28-11-6-5-7-12-28/h8-10,13-14,18H,4-7,11-12H2,1-3H3,(H,26,30)
InChIKeyMARFBDNMXKVYGZ-UHFFFAOYSA-N
XLogP3.38
TPSA93.01 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500420.52
LogP ≤ 53.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

N-(2,6-diethylphenyl)-2-(5-oxo-2-piperidin-1-ylpyrimido[4,5-d]pyrimidin-6-yl)butanamide
CID 53109793
(2R)-N-(2,6-dimethylphenyl)-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 94069454
(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
(2S)-2-(diethylamino)-N-(2,6-dimethylphenyl)propanamide
CID 7044016
(2R)-N-(4-methoxyphenyl)-2-(4-oxo-6,7,8,9-tetrahydropyrimido[4,5-b]quinolin-3-yl)butanamide
CID 92875609
2-(azepan-1-yl)-N-(2-ethyl-6-methylphenyl)pyrimidin-4-amine
CID 112901638
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)-6-methylpyrimidine-4-carboxamide
CID 109334362
(2R)-N-(2,6-dimethylphenyl)-2-[(1R,2S,6S,7R)-3,5-dioxo-4-azatricyclo[5.2.2.02,6]undec-8-en-4-yl]butanamide
CID 98305227
N-(2,6-dimethylphenyl)-2-(1-ethylphosphinan-1-ium-1-yl)butanamide
CID 159859774
(2R)-2-(4-oxoquinazolin-3-yl)-N-(4-propan-2-ylphenyl)butanamide
CID 7579540

Frequently Asked Questions

What is the IUPAC name of N-(2,6-dimethylphenyl)-2-(5-oxo-2-piperidin-1-ylpyrimido[4,5-d]pyrimidin-6-yl)butanamide?
The IUPAC name of N-(2,6-dimethylphenyl)-2-(5-oxo-2-piperidin-1-ylpyrimido[4,5-d]pyrimidin-6-yl)butanamide (CID 53109798) is N-(2,6-dimethylphenyl)-2-(5-oxo-2-piperidin-1-ylpyrimido[4,5-d]pyrimidin-6-yl)butanamide.
What is the SMILES notation for N-(2,6-dimethylphenyl)-2-(5-oxo-2-piperidin-1-ylpyrimido[4,5-d]pyrimidin-6-yl)butanamide?
The canonical SMILES for N-(2,6-dimethylphenyl)-2-(5-oxo-2-piperidin-1-ylpyrimido[4,5-d]pyrimidin-6-yl)butanamide is CCC(C(=O)Nc1c(C)cccc1C)n1cnc2nc(N3CCCCC3)ncc2c1=O.
What is the InChIKey of N-(2,6-dimethylphenyl)-2-(5-oxo-2-piperidin-1-ylpyrimido[4,5-d]pyrimidin-6-yl)butanamide?
The InChIKey is MARFBDNMXKVYGZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H28N6O2/c1-4-18(21(30)26-19-15(2)9-8-10-16(19)3)29-14-25-20-17(22(29)31)13-24-23(27-20)28-11-6-5-7-12-28/h8-10,13-14,18H,4-7,11-12H2,1-3H3,(H,26,30).
What are the key properties of N-(2,6-dimethylphenyl)-2-(5-oxo-2-piperidin-1-ylpyrimido[4,5-d]pyrimidin-6-yl)butanamide?
N-(2,6-dimethylphenyl)-2-(5-oxo-2-piperidin-1-ylpyrimido[4,5-d]pyrimidin-6-yl)butanamide has a molecular weight of 420.52 g/mol, XLogP of 3.38, 5 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,6-dimethylphenyl)-2-(5-oxo-2-piperidin-1-ylpyrimido[4,5-d]pyrimidin-6-yl)butanamide is sourced from PubChem (CID 53109798), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).