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

C19H27N7 — CID 112863363

IUPACN-cycloheptyl-6-(4-pyrimidin-2-ylpiperazin-1-yl)pyrimidin-4-amine
SMILESc1cnc(N2CCN(c3cc(NC4CCCCCC4)ncn3)CC2)nc1
InChIInChI=1S/C19H27N7/c1-2-4-7-16(6-3-1)24-17-14-18(23-15-22-17)25-10-12-26(13-11-25)19-20-8-5-9-21-19/h5,8-9,14-16H,1-4,6-7,10-13H2,(H,22,23,24)
InChIKeyXYACCVNDEVOUQC-UHFFFAOYSA-N
MW353.47 g/mol
LogP2.73
Rot. Bonds4

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

N-cycloheptyl-6-(4-pyrimidin-2-ylpiperazin-1-yl)pyrimidin-4-amine (PubChem CID 112863363) has the molecular formula C19H27N7 and a molecular weight of 353.47 g/mol. Its IUPAC name is N-cycloheptyl-6-(4-pyrimidin-2-ylpiperazin-1-yl)pyrimidin-4-amine.

Molecular Properties

Compound NameN-cycloheptyl-6-(4-pyrimidin-2-ylpiperazin-1-yl)pyrimidin-4-amine
PubChem CID112863363
Molecular FormulaC19H27N7
Molecular Weight353.47 g/mol
Exact Mass353.23
IUPAC NameN-cycloheptyl-6-(4-pyrimidin-2-ylpiperazin-1-yl)pyrimidin-4-amine
SMILESc1cnc(N2CCN(c3cc(NC4CCCCCC4)ncn3)CC2)nc1
InChIInChI=1S/C19H27N7/c1-2-4-7-16(6-3-1)24-17-14-18(23-15-22-17)25-10-12-26(13-11-25)19-20-8-5-9-21-19/h5,8-9,14-16H,1-4,6-7,10-13H2,(H,22,23,24)
InChIKeyXYACCVNDEVOUQC-UHFFFAOYSA-N
XLogP2.73
TPSA70.07 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500353.47
LogP ≤ 52.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

N-cyclopentyl-6-(4-pyridin-2-ylpiperazin-1-yl)pyrimidin-4-amine
CID 112855879
N-cyclopentyl-2-methyl-6-(4-pyrimidin-2-ylpiperazin-1-yl)pyrimidin-4-amine
CID 112868660
4-[6-(cyclopentylamino)pyrimidin-4-yl]piperazine-1-carbaldehyde
CID 112855829
6-methoxy-N-(1-pyrimidin-2-ylpiperidin-4-yl)pyrimidin-4-amine
CID 126888036
1-[6-(cyclobutylamino)pyrimidin-4-yl]piperidin-4-ol
CID 115265259
4-(4-pyrimidin-2-ylpiperazin-1-yl)-6-pyrrolidin-1-ylpyrimidine
CID 112855694
N-ethyl-6-(4-pyrimidin-2-ylpiperazin-1-yl)pyrimidin-4-amine
CID 80757593
N-phenyl-6-(4-pyrimidin-2-ylpiperazin-1-yl)pyrimidin-4-amine
CID 112863373
[1-[6-(cyclobutylamino)pyrimidin-4-yl]piperidin-4-yl]methanol
CID 115265154
N-(3-methylbutyl)-6-(4-pyrimidin-2-ylpiperazin-1-yl)pyrimidin-4-amine
CID 112863365
N-cyclopropyl-6-[4-(4-fluorophenyl)piperazin-1-yl]pyrimidin-4-amine
CID 112854724
6-N-cyclohexyl-4-N-cyclopropylpyrimidine-4,6-diamine
CID 112854680

Frequently Asked Questions

What is the IUPAC name of N-cycloheptyl-6-(4-pyrimidin-2-ylpiperazin-1-yl)pyrimidin-4-amine?
The IUPAC name of N-cycloheptyl-6-(4-pyrimidin-2-ylpiperazin-1-yl)pyrimidin-4-amine (CID 112863363) is N-cycloheptyl-6-(4-pyrimidin-2-ylpiperazin-1-yl)pyrimidin-4-amine.
What is the SMILES notation for N-cycloheptyl-6-(4-pyrimidin-2-ylpiperazin-1-yl)pyrimidin-4-amine?
The canonical SMILES for N-cycloheptyl-6-(4-pyrimidin-2-ylpiperazin-1-yl)pyrimidin-4-amine is c1cnc(N2CCN(c3cc(NC4CCCCCC4)ncn3)CC2)nc1.
What is the InChIKey of N-cycloheptyl-6-(4-pyrimidin-2-ylpiperazin-1-yl)pyrimidin-4-amine?
The InChIKey is XYACCVNDEVOUQC-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H27N7/c1-2-4-7-16(6-3-1)24-17-14-18(23-15-22-17)25-10-12-26(13-11-25)19-20-8-5-9-21-19/h5,8-9,14-16H,1-4,6-7,10-13H2,(H,22,23,24).
What are the key properties of N-cycloheptyl-6-(4-pyrimidin-2-ylpiperazin-1-yl)pyrimidin-4-amine?
N-cycloheptyl-6-(4-pyrimidin-2-ylpiperazin-1-yl)pyrimidin-4-amine has a molecular weight of 353.47 g/mol, XLogP of 2.73, 4 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-cycloheptyl-6-(4-pyrimidin-2-ylpiperazin-1-yl)pyrimidin-4-amine is sourced from PubChem (CID 112863363), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).