4-[2-(cyclohexylamino)-6-methylpyrimidin-4-yl]-N-(4-methoxyphenyl)piperazine-1-carboxamide

C23H32N6O2 — CID 47001646

IUPAC4-[2-(cyclohexylamino)-6-methylpyrimidin-4-yl]-N-(4-methoxyphenyl)piperazine-1-carboxamide
SMILESCOc1ccc(NC(=O)N2CCN(c3cc(C)nc(NC4CCCCC4)n3)CC2)cc1
InChIInChI=1S/C23H32N6O2/c1-17-16-21(27-22(24-17)25-18-6-4-3-5-7-18)28-12-14-29(15-13-28)23(30)26-19-8-10-20(31-2)11-9-19/h8-11,16,18H,3-7,12-15H2,1-2H3,(H,26,30)(H,24,25,27)
InChIKeyPXIRXOVOVIKONN-UHFFFAOYSA-N
MW424.55 g/mol
LogP3.89
Rot. Bonds5

About 4-[2-(cyclohexylamino)-6-methylpyrimidin-4-yl]-N-(4-methoxyphenyl)piperazine-1-carboxamide

4-[2-(cyclohexylamino)-6-methylpyrimidin-4-yl]-N-(4-methoxyphenyl)piperazine-1-carboxamide (PubChem CID 47001646) has the molecular formula C23H32N6O2 and a molecular weight of 424.55 g/mol. Its IUPAC name is 4-[2-(cyclohexylamino)-6-methylpyrimidin-4-yl]-N-(4-methoxyphenyl)piperazine-1-carboxamide.

Molecular Properties

Compound Name4-[2-(cyclohexylamino)-6-methylpyrimidin-4-yl]-N-(4-methoxyphenyl)piperazine-1-carboxamide
PubChem CID47001646
Molecular FormulaC23H32N6O2
Molecular Weight424.55 g/mol
Exact Mass424.26
IUPAC Name4-[2-(cyclohexylamino)-6-methylpyrimidin-4-yl]-N-(4-methoxyphenyl)piperazine-1-carboxamide
SMILESCOc1ccc(NC(=O)N2CCN(c3cc(C)nc(NC4CCCCC4)n3)CC2)cc1
InChIInChI=1S/C23H32N6O2/c1-17-16-21(27-22(24-17)25-18-6-4-3-5-7-18)28-12-14-29(15-13-28)23(30)26-19-8-10-20(31-2)11-9-19/h8-11,16,18H,3-7,12-15H2,1-2H3,(H,26,30)(H,24,25,27)
InChIKeyPXIRXOVOVIKONN-UHFFFAOYSA-N
XLogP3.89
TPSA82.62 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500424.55
LogP ≤ 53.89
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

N-(4-methoxyphenyl)-4-(6-methyl-2-propan-2-ylpyrimidin-4-yl)piperazine-1-carboxamide
CID 30938906
1-[4-[2-(cyclohexylamino)-6-methylpyrimidin-4-yl]piperazin-1-yl]butan-1-one
CID 121090227
[4-[2-(cyclohexylamino)-6-methylpyrimidin-4-yl]piperazin-1-yl]-(6-methoxy-3-pyridinyl)methanone
CID 122348235
1-[4-[2-(cyclohexylamino)-6-methylpyrimidin-4-yl]piperazin-1-yl]-2,2-dimethylpropan-1-one
CID 121090230
[4-[2-(cyclohexylamino)-6-methylpyrimidin-4-yl]piperazin-1-yl]-phenylmethanone
CID 50946262
2-(4-chlorophenoxy)-1-[4-[2-(cyclohexylamino)-6-methylpyrimidin-4-yl]piperazin-1-yl]-2-methylpropan-1-one
CID 121090274
(5-chloro-2-methoxyphenyl)-[4-[2-(cyclohexylamino)-6-methylpyrimidin-4-yl]piperazin-1-yl]methanone
CID 121090268
[4-[2-(cyclohexylamino)-6-methylpyrimidin-4-yl]piperazin-1-yl]-(3,5-dimethylphenyl)methanone
CID 121090271
[4-[2-(cyclohexylamino)-6-methylpyrimidin-4-yl]piperazin-1-yl]-[1-(2-methoxyphenyl)cyclopropyl]methanone
CID 122348099
[4-[2-(cyclohexylamino)-6-methylpyrimidin-4-yl]piperazin-1-yl]-(4-methyl-1,3-thiazol-5-yl)methanone
CID 122348233
[4-[2-(cycloheptylamino)-6-methylpyrimidin-4-yl]piperazin-1-yl]-(furan-2-yl)methanone
CID 112923752
N-(3-methoxyphenyl)-4-(4-methyl-6-piperidin-1-ylpyrimidin-2-yl)piperazine-1-carboxamide
CID 22585362

Frequently Asked Questions

What is the IUPAC name of 4-[2-(cyclohexylamino)-6-methylpyrimidin-4-yl]-N-(4-methoxyphenyl)piperazine-1-carboxamide?
The IUPAC name of 4-[2-(cyclohexylamino)-6-methylpyrimidin-4-yl]-N-(4-methoxyphenyl)piperazine-1-carboxamide (CID 47001646) is 4-[2-(cyclohexylamino)-6-methylpyrimidin-4-yl]-N-(4-methoxyphenyl)piperazine-1-carboxamide.
What is the SMILES notation for 4-[2-(cyclohexylamino)-6-methylpyrimidin-4-yl]-N-(4-methoxyphenyl)piperazine-1-carboxamide?
The canonical SMILES for 4-[2-(cyclohexylamino)-6-methylpyrimidin-4-yl]-N-(4-methoxyphenyl)piperazine-1-carboxamide is COc1ccc(NC(=O)N2CCN(c3cc(C)nc(NC4CCCCC4)n3)CC2)cc1.
What is the InChIKey of 4-[2-(cyclohexylamino)-6-methylpyrimidin-4-yl]-N-(4-methoxyphenyl)piperazine-1-carboxamide?
The InChIKey is PXIRXOVOVIKONN-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H32N6O2/c1-17-16-21(27-22(24-17)25-18-6-4-3-5-7-18)28-12-14-29(15-13-28)23(30)26-19-8-10-20(31-2)11-9-19/h8-11,16,18H,3-7,12-15H2,1-2H3,(H,26,30)(H,24,25,27).
What are the key properties of 4-[2-(cyclohexylamino)-6-methylpyrimidin-4-yl]-N-(4-methoxyphenyl)piperazine-1-carboxamide?
4-[2-(cyclohexylamino)-6-methylpyrimidin-4-yl]-N-(4-methoxyphenyl)piperazine-1-carboxamide has a molecular weight of 424.55 g/mol, XLogP of 3.89, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2-(cyclohexylamino)-6-methylpyrimidin-4-yl]-N-(4-methoxyphenyl)piperazine-1-carboxamide is sourced from PubChem (CID 47001646), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).