3-[2-[4-[2-(cyclohexylamino)-6-methylpyrimidin-4-yl]piperazin-1-yl]-2-oxoethyl]quinazolin-4-one

C25H31N7O2 — CID 122348215

IUPAC3-[2-[4-[2-(cyclohexylamino)-6-methylpyrimidin-4-yl]piperazin-1-yl]-2-oxoethyl]quinazolin-4-one
SMILESCc1cc(N2CCN(C(=O)Cn3cnc4ccccc4c3=O)CC2)nc(NC2CCCCC2)n1
InChIInChI=1S/C25H31N7O2/c1-18-15-22(29-25(27-18)28-19-7-3-2-4-8-19)30-11-13-31(14-12-30)23(33)16-32-17-26-21-10-6-5-9-20(21)24(32)34/h5-6,9-10,15,17,19H,2-4,7-8,11-14,16H2,1H3,(H,27,28,29)
InChIKeyYXHDGLGKEVZMIN-UHFFFAOYSA-N
MW461.57 g/mol
LogP2.59
Rot. Bonds5

About 3-[2-[4-[2-(cyclohexylamino)-6-methylpyrimidin-4-yl]piperazin-1-yl]-2-oxoethyl]quinazolin-4-one

3-[2-[4-[2-(cyclohexylamino)-6-methylpyrimidin-4-yl]piperazin-1-yl]-2-oxoethyl]quinazolin-4-one (PubChem CID 122348215) has the molecular formula C25H31N7O2 and a molecular weight of 461.57 g/mol. Its IUPAC name is 3-[2-[4-[2-(cyclohexylamino)-6-methylpyrimidin-4-yl]piperazin-1-yl]-2-oxoethyl]quinazolin-4-one.

Molecular Properties

Compound Name3-[2-[4-[2-(cyclohexylamino)-6-methylpyrimidin-4-yl]piperazin-1-yl]-2-oxoethyl]quinazolin-4-one
PubChem CID122348215
Molecular FormulaC25H31N7O2
Molecular Weight461.57 g/mol
Exact Mass461.25
IUPAC Name3-[2-[4-[2-(cyclohexylamino)-6-methylpyrimidin-4-yl]piperazin-1-yl]-2-oxoethyl]quinazolin-4-one
SMILESCc1cc(N2CCN(C(=O)Cn3cnc4ccccc4c3=O)CC2)nc(NC2CCCCC2)n1
InChIInChI=1S/C25H31N7O2/c1-18-15-22(29-25(27-18)28-19-7-3-2-4-8-19)30-11-13-31(14-12-30)23(33)16-32-17-26-21-10-6-5-9-20(21)24(32)34/h5-6,9-10,15,17,19H,2-4,7-8,11-14,16H2,1H3,(H,27,28,29)
InChIKeyYXHDGLGKEVZMIN-UHFFFAOYSA-N
XLogP2.59
TPSA96.25 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds5
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500461.57
LogP ≤ 52.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

Analyze 3-[2-[4-[2-(cyclohexylamino)-6-methylpyrimidin-4-yl]piperazin-1-yl]-2-oxoethyl]quinazolin-4-one with MolForge

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Launch Full Analysis

Related Compounds

1-[4-[2-(cyclohexylamino)-6-methylpyrimidin-4-yl]piperazin-1-yl]butan-1-one
CID 121090227
N-[2-[(4-methyl-6-piperidin-1-ylpyrimidin-2-yl)amino]ethyl]-2-(4-oxoquinazolin-3-yl)acetamide
CID 122294459
[4-[2-(cyclohexylamino)-6-methylpyrimidin-4-yl]piperazin-1-yl]-phenylmethanone
CID 50946262
3-[3-[4-[4-methyl-6-(4-methylpiperazin-1-yl)pyrimidin-2-yl]piperazin-1-yl]-3-oxopropyl]quinazolin-4-one
CID 122333851
2-(4-chlorophenyl)-1-[4-[2-(cyclohexylamino)-6-methylpyrimidin-4-yl]piperazin-1-yl]ethanone
CID 121090269
N-[2-[(4-methyl-6-pyrrolidin-1-ylpyrimidin-2-yl)amino]ethyl]-3-(4-oxoquinazolin-3-yl)propanamide
CID 122294971
3-(2-oxo-2-pyrrolidin-1-ylethyl)quinazolin-4-one
CID 4908291
1-[4-[2-(cyclohexylamino)-6-methylpyrimidin-4-yl]piperazin-1-yl]-2,2-dimethylpropan-1-one
CID 121090230
N-cycloheptyl-4-methyl-6-(4-pyridin-2-ylpiperazin-1-yl)pyrimidin-2-amine
CID 112923831
N-(4,6-dimethylpyrimidin-2-yl)-2-(4-oxoquinazolin-3-yl)acetamide
CID 155294773
N-cycloheptyl-2-(4-oxoquinazolin-3-yl)acetamide
CID 4815745
[4-[2-(cycloheptylamino)-6-methylpyrimidin-4-yl]piperazin-1-yl]-(furan-2-yl)methanone
CID 112923752

Frequently Asked Questions

What is the IUPAC name of 3-[2-[4-[2-(cyclohexylamino)-6-methylpyrimidin-4-yl]piperazin-1-yl]-2-oxoethyl]quinazolin-4-one?
The IUPAC name of 3-[2-[4-[2-(cyclohexylamino)-6-methylpyrimidin-4-yl]piperazin-1-yl]-2-oxoethyl]quinazolin-4-one (CID 122348215) is 3-[2-[4-[2-(cyclohexylamino)-6-methylpyrimidin-4-yl]piperazin-1-yl]-2-oxoethyl]quinazolin-4-one.
What is the SMILES notation for 3-[2-[4-[2-(cyclohexylamino)-6-methylpyrimidin-4-yl]piperazin-1-yl]-2-oxoethyl]quinazolin-4-one?
The canonical SMILES for 3-[2-[4-[2-(cyclohexylamino)-6-methylpyrimidin-4-yl]piperazin-1-yl]-2-oxoethyl]quinazolin-4-one is Cc1cc(N2CCN(C(=O)Cn3cnc4ccccc4c3=O)CC2)nc(NC2CCCCC2)n1.
What is the InChIKey of 3-[2-[4-[2-(cyclohexylamino)-6-methylpyrimidin-4-yl]piperazin-1-yl]-2-oxoethyl]quinazolin-4-one?
The InChIKey is YXHDGLGKEVZMIN-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H31N7O2/c1-18-15-22(29-25(27-18)28-19-7-3-2-4-8-19)30-11-13-31(14-12-30)23(33)16-32-17-26-21-10-6-5-9-20(21)24(32)34/h5-6,9-10,15,17,19H,2-4,7-8,11-14,16H2,1H3,(H,27,28,29).
What are the key properties of 3-[2-[4-[2-(cyclohexylamino)-6-methylpyrimidin-4-yl]piperazin-1-yl]-2-oxoethyl]quinazolin-4-one?
3-[2-[4-[2-(cyclohexylamino)-6-methylpyrimidin-4-yl]piperazin-1-yl]-2-oxoethyl]quinazolin-4-one has a molecular weight of 461.57 g/mol, XLogP of 2.59, 5 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[2-[4-[2-(cyclohexylamino)-6-methylpyrimidin-4-yl]piperazin-1-yl]-2-oxoethyl]quinazolin-4-one is sourced from PubChem (CID 122348215), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).