N-cycloheptyl-2-(4-ethylpiperazin-1-yl)-6-phenylpyrimidin-4-amine

C23H33N5 — CID 112936505

IUPACN-cycloheptyl-2-(4-ethylpiperazin-1-yl)-6-phenylpyrimidin-4-amine
SMILESCCN1CCN(c2nc(NC3CCCCCC3)cc(-c3ccccc3)n2)CC1
InChIInChI=1S/C23H33N5/c1-2-27-14-16-28(17-15-27)23-25-21(19-10-6-5-7-11-19)18-22(26-23)24-20-12-8-3-4-9-13-20/h5-7,10-11,18,20H,2-4,8-9,12-17H2,1H3,(H,24,25,26)
InChIKeyGRYLENYMATYJTR-UHFFFAOYSA-N
MW379.55 g/mol
LogP4.42
Rot. Bonds5

About N-cycloheptyl-2-(4-ethylpiperazin-1-yl)-6-phenylpyrimidin-4-amine

N-cycloheptyl-2-(4-ethylpiperazin-1-yl)-6-phenylpyrimidin-4-amine (PubChem CID 112936505) has the molecular formula C23H33N5 and a molecular weight of 379.55 g/mol. Its IUPAC name is N-cycloheptyl-2-(4-ethylpiperazin-1-yl)-6-phenylpyrimidin-4-amine.

Molecular Properties

Compound NameN-cycloheptyl-2-(4-ethylpiperazin-1-yl)-6-phenylpyrimidin-4-amine
PubChem CID112936505
Molecular FormulaC23H33N5
Molecular Weight379.55 g/mol
Exact Mass379.27
IUPAC NameN-cycloheptyl-2-(4-ethylpiperazin-1-yl)-6-phenylpyrimidin-4-amine
SMILESCCN1CCN(c2nc(NC3CCCCCC3)cc(-c3ccccc3)n2)CC1
InChIInChI=1S/C23H33N5/c1-2-27-14-16-28(17-15-27)23-25-21(19-10-6-5-7-11-19)18-22(26-23)24-20-12-8-3-4-9-13-20/h5-7,10-11,18,20H,2-4,8-9,12-17H2,1H3,(H,24,25,26)
InChIKeyGRYLENYMATYJTR-UHFFFAOYSA-N
XLogP4.42
TPSA44.29 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500379.55
LogP ≤ 54.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-cyclopropyl-2-(4-methylpiperazin-1-yl)-6-phenylpyrimidin-4-amine
CID 112932936
N-cyclopropyl-6-phenyl-2-(4-pyrimidin-2-ylpiperazin-1-yl)pyrimidin-4-amine
CID 112932983
2-(4-ethylpiperazin-1-yl)-4-phenyl-6-pyrrolidin-1-ylpyrimidine
CID 112934083
2-(4-benzylpiperazin-1-yl)-6-N-cyclononyl-4-N,4-N-dimethylpyrimidine-4,6-diamine
CID 142861903
2-(azepan-1-yl)-N-(1,1-dioxothiolan-3-yl)-6-phenylpyrimidin-4-amine
CID 112937542
6-phenyl-N-propyl-2-(4-pyrimidin-2-ylpiperazin-1-yl)pyrimidin-4-amine
CID 112932430
N-methyl-6-phenyl-2-pyrrolidin-1-ylpyrimidin-4-amine
CID 62192650
6-phenyl-2-(4-phenylpiperazin-1-yl)-N-propylpyrimidin-4-amine
CID 112932417
N-ethyl-2-(4-ethylpiperazin-1-yl)-N,6-diphenylpyrimidin-4-amine
CID 112936528
N-pentyl-6-phenyl-2-pyrrolidin-1-ylpyrimidin-4-amine
CID 112934269
[4-[4-(cyclopropylamino)-6-phenylpyrimidin-2-yl]piperazin-1-yl]-(furan-2-yl)methanone
CID 112932981
N-cyclohexyl-4-(4-ethylpiperazin-1-yl)pyrimidin-2-amine
CID 112884933

Frequently Asked Questions

What is the IUPAC name of N-cycloheptyl-2-(4-ethylpiperazin-1-yl)-6-phenylpyrimidin-4-amine?
The IUPAC name of N-cycloheptyl-2-(4-ethylpiperazin-1-yl)-6-phenylpyrimidin-4-amine (CID 112936505) is N-cycloheptyl-2-(4-ethylpiperazin-1-yl)-6-phenylpyrimidin-4-amine.
What is the SMILES notation for N-cycloheptyl-2-(4-ethylpiperazin-1-yl)-6-phenylpyrimidin-4-amine?
The canonical SMILES for N-cycloheptyl-2-(4-ethylpiperazin-1-yl)-6-phenylpyrimidin-4-amine is CCN1CCN(c2nc(NC3CCCCCC3)cc(-c3ccccc3)n2)CC1.
What is the InChIKey of N-cycloheptyl-2-(4-ethylpiperazin-1-yl)-6-phenylpyrimidin-4-amine?
The InChIKey is GRYLENYMATYJTR-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H33N5/c1-2-27-14-16-28(17-15-27)23-25-21(19-10-6-5-7-11-19)18-22(26-23)24-20-12-8-3-4-9-13-20/h5-7,10-11,18,20H,2-4,8-9,12-17H2,1H3,(H,24,25,26).
What are the key properties of N-cycloheptyl-2-(4-ethylpiperazin-1-yl)-6-phenylpyrimidin-4-amine?
N-cycloheptyl-2-(4-ethylpiperazin-1-yl)-6-phenylpyrimidin-4-amine has a molecular weight of 379.55 g/mol, XLogP of 4.42, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-cycloheptyl-2-(4-ethylpiperazin-1-yl)-6-phenylpyrimidin-4-amine is sourced from PubChem (CID 112936505), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).