N-cycloheptyl-4-methyl-6-(4-pyridin-2-ylpiperazin-1-yl)pyrimidin-2-amine

C21H30N6 — CID 112923831

IUPACN-cycloheptyl-4-methyl-6-(4-pyridin-2-ylpiperazin-1-yl)pyrimidin-2-amine
SMILESCc1cc(N2CCN(c3ccccn3)CC2)nc(NC2CCCCCC2)n1
InChIInChI=1S/C21H30N6/c1-17-16-20(25-21(23-17)24-18-8-4-2-3-5-9-18)27-14-12-26(13-15-27)19-10-6-7-11-22-19/h6-7,10-11,16,18H,2-5,8-9,12-15H2,1H3,(H,23,24,25)
InChIKeyIJCCRBLINNZMKO-UHFFFAOYSA-N
MW366.51 g/mol
LogP3.64
Rot. Bonds4

About N-cycloheptyl-4-methyl-6-(4-pyridin-2-ylpiperazin-1-yl)pyrimidin-2-amine

N-cycloheptyl-4-methyl-6-(4-pyridin-2-ylpiperazin-1-yl)pyrimidin-2-amine (PubChem CID 112923831) has the molecular formula C21H30N6 and a molecular weight of 366.51 g/mol. Its IUPAC name is N-cycloheptyl-4-methyl-6-(4-pyridin-2-ylpiperazin-1-yl)pyrimidin-2-amine.

Molecular Properties

Compound NameN-cycloheptyl-4-methyl-6-(4-pyridin-2-ylpiperazin-1-yl)pyrimidin-2-amine
PubChem CID112923831
Molecular FormulaC21H30N6
Molecular Weight366.51 g/mol
Exact Mass366.25
IUPAC NameN-cycloheptyl-4-methyl-6-(4-pyridin-2-ylpiperazin-1-yl)pyrimidin-2-amine
SMILESCc1cc(N2CCN(c3ccccn3)CC2)nc(NC2CCCCCC2)n1
InChIInChI=1S/C21H30N6/c1-17-16-20(25-21(23-17)24-18-8-4-2-3-5-9-18)27-14-12-26(13-15-27)19-10-6-7-11-22-19/h6-7,10-11,16,18H,2-5,8-9,12-15H2,1H3,(H,23,24,25)
InChIKeyIJCCRBLINNZMKO-UHFFFAOYSA-N
XLogP3.64
TPSA57.18 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500366.51
LogP ≤ 53.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

N-cyclopropyl-4-methyl-6-(4-pyridin-2-ylpiperazin-1-yl)pyrimidin-2-amine
CID 112907588
N-cycloheptyl-4-(4-pyridin-2-ylpiperazin-1-yl)pyrimidin-2-amine
CID 112898738
[4-[2-(cyclohexylamino)-6-methylpyrimidin-4-yl]piperazin-1-yl]-phenylmethanone
CID 50946262
4-[4-(benzenesulfonyl)piperazin-1-yl]-N-cyclohexyl-6-methylpyrimidin-2-amine
CID 50945908
N-cyclohexyl-4-methyl-6-(4-pyrrolidin-1-ylsulfonylpiperazin-1-yl)pyrimidin-2-amine
CID 122348324
4-methyl-N-(pyridin-2-ylmethyl)-6-(4-pyridin-2-ylpiperazin-1-yl)pyrimidin-2-amine
CID 112919280
1-[4-[2-(cyclohexylamino)-6-methylpyrimidin-4-yl]piperazin-1-yl]-2,2-dimethylpropan-1-one
CID 121090230
N-cyclopropyl-4-[4-(2-fluorophenyl)piperazin-1-yl]-6-methylpyrimidin-2-amine
CID 112907585
[4-[2-(cycloheptylamino)-6-methylpyrimidin-4-yl]piperazin-1-yl]-(furan-2-yl)methanone
CID 112923752
N-butyl-4-methyl-6-(4-pyridin-2-ylpiperazin-1-yl)pyrimidin-2-amine
CID 112908336
[4-[2-(cyclohexylamino)-6-methylpyrimidin-4-yl]piperazin-1-yl]-(3,5-dimethylphenyl)methanone
CID 121090271
1-[4-[2-(cyclohexylamino)-6-methylpyrimidin-4-yl]piperazin-1-yl]butan-1-one
CID 121090227

Frequently Asked Questions

What is the IUPAC name of N-cycloheptyl-4-methyl-6-(4-pyridin-2-ylpiperazin-1-yl)pyrimidin-2-amine?
The IUPAC name of N-cycloheptyl-4-methyl-6-(4-pyridin-2-ylpiperazin-1-yl)pyrimidin-2-amine (CID 112923831) is N-cycloheptyl-4-methyl-6-(4-pyridin-2-ylpiperazin-1-yl)pyrimidin-2-amine.
What is the SMILES notation for N-cycloheptyl-4-methyl-6-(4-pyridin-2-ylpiperazin-1-yl)pyrimidin-2-amine?
The canonical SMILES for N-cycloheptyl-4-methyl-6-(4-pyridin-2-ylpiperazin-1-yl)pyrimidin-2-amine is Cc1cc(N2CCN(c3ccccn3)CC2)nc(NC2CCCCCC2)n1.
What is the InChIKey of N-cycloheptyl-4-methyl-6-(4-pyridin-2-ylpiperazin-1-yl)pyrimidin-2-amine?
The InChIKey is IJCCRBLINNZMKO-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H30N6/c1-17-16-20(25-21(23-17)24-18-8-4-2-3-5-9-18)27-14-12-26(13-15-27)19-10-6-7-11-22-19/h6-7,10-11,16,18H,2-5,8-9,12-15H2,1H3,(H,23,24,25).
What are the key properties of N-cycloheptyl-4-methyl-6-(4-pyridin-2-ylpiperazin-1-yl)pyrimidin-2-amine?
N-cycloheptyl-4-methyl-6-(4-pyridin-2-ylpiperazin-1-yl)pyrimidin-2-amine has a molecular weight of 366.51 g/mol, XLogP of 3.64, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-cycloheptyl-4-methyl-6-(4-pyridin-2-ylpiperazin-1-yl)pyrimidin-2-amine is sourced from PubChem (CID 112923831), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).