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

C18H19N7 — CID 112863373

IUPACN-phenyl-6-(4-pyrimidin-2-ylpiperazin-1-yl)pyrimidin-4-amine
SMILESc1ccc(Nc2cc(N3CCN(c4ncccn4)CC3)ncn2)cc1
InChIInChI=1S/C18H19N7/c1-2-5-15(6-3-1)23-16-13-17(22-14-21-16)24-9-11-25(12-10-24)18-19-7-4-8-20-18/h1-8,13-14H,9-12H2,(H,21,22,23)
InChIKeyKWKKEEDDRRJGLJ-UHFFFAOYSA-N
MW333.40 g/mol
LogP2.34
Rot. Bonds4

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

N-phenyl-6-(4-pyrimidin-2-ylpiperazin-1-yl)pyrimidin-4-amine (PubChem CID 112863373) has the molecular formula C18H19N7 and a molecular weight of 333.40 g/mol. Its IUPAC name is N-phenyl-6-(4-pyrimidin-2-ylpiperazin-1-yl)pyrimidin-4-amine.

Molecular Properties

Compound NameN-phenyl-6-(4-pyrimidin-2-ylpiperazin-1-yl)pyrimidin-4-amine
PubChem CID112863373
Molecular FormulaC18H19N7
Molecular Weight333.40 g/mol
Exact Mass333.17
IUPAC NameN-phenyl-6-(4-pyrimidin-2-ylpiperazin-1-yl)pyrimidin-4-amine
SMILESc1ccc(Nc2cc(N3CCN(c4ncccn4)CC3)ncn2)cc1
InChIInChI=1S/C18H19N7/c1-2-5-15(6-3-1)23-16-13-17(22-14-21-16)24-9-11-25(12-10-24)18-19-7-4-8-20-18/h1-8,13-14H,9-12H2,(H,21,22,23)
InChIKeyKWKKEEDDRRJGLJ-UHFFFAOYSA-N
XLogP2.34
TPSA70.07 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500333.40
LogP ≤ 52.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

1-N-phenyl-4-N-(6-pyrrolidin-1-ylpyrimidin-4-yl)benzene-1,4-diamine
CID 122282330
N-(4-methylphenyl)-6-(4-phenylpiperazin-1-yl)pyrimidin-4-amine
CID 112862245
N-(pyridin-2-ylmethyl)-6-(4-pyrimidin-2-ylpiperazin-1-yl)pyrimidin-4-amine
CID 112860589
N-(4-ethylphenyl)-6-(4-pyridin-2-ylpiperazin-1-yl)pyrimidin-4-amine
CID 112863306
N-ethyl-6-(4-pyrimidin-2-ylpiperazin-1-yl)pyrimidin-4-amine
CID 80757593
N-cycloheptyl-6-(4-pyrimidin-2-ylpiperazin-1-yl)pyrimidin-4-amine
CID 112863363
4-(4-pyrimidin-2-ylpiperazin-1-yl)-6-pyrrolidin-1-ylpyrimidine
CID 112855694
6-(1-methyl-1,8-diazaspiro[4.5]decan-8-yl)-N-phenylpyrimidin-4-amine
CID 154865703
N-(3,4-difluorophenyl)-6-(4-phenylpiperazin-1-yl)pyrimidin-4-amine
CID 112862304
N-(4-ethoxyphenyl)-6-(4-phenylpiperazin-1-yl)pyrimidin-4-amine
CID 112862274
N-(1,3-benzodioxol-5-yl)-6-(4-pyridin-2-ylpiperazin-1-yl)pyrimidin-4-amine
CID 112863347
[6-(4-methylanilino)pyrimidin-4-yl]-(4-pyrimidin-2-ylpiperazin-1-yl)methanone
CID 109353234

Frequently Asked Questions

What is the IUPAC name of N-phenyl-6-(4-pyrimidin-2-ylpiperazin-1-yl)pyrimidin-4-amine?
The IUPAC name of N-phenyl-6-(4-pyrimidin-2-ylpiperazin-1-yl)pyrimidin-4-amine (CID 112863373) is N-phenyl-6-(4-pyrimidin-2-ylpiperazin-1-yl)pyrimidin-4-amine.
What is the SMILES notation for N-phenyl-6-(4-pyrimidin-2-ylpiperazin-1-yl)pyrimidin-4-amine?
The canonical SMILES for N-phenyl-6-(4-pyrimidin-2-ylpiperazin-1-yl)pyrimidin-4-amine is c1ccc(Nc2cc(N3CCN(c4ncccn4)CC3)ncn2)cc1.
What is the InChIKey of N-phenyl-6-(4-pyrimidin-2-ylpiperazin-1-yl)pyrimidin-4-amine?
The InChIKey is KWKKEEDDRRJGLJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19N7/c1-2-5-15(6-3-1)23-16-13-17(22-14-21-16)24-9-11-25(12-10-24)18-19-7-4-8-20-18/h1-8,13-14H,9-12H2,(H,21,22,23).
What are the key properties of N-phenyl-6-(4-pyrimidin-2-ylpiperazin-1-yl)pyrimidin-4-amine?
N-phenyl-6-(4-pyrimidin-2-ylpiperazin-1-yl)pyrimidin-4-amine has a molecular weight of 333.40 g/mol, XLogP of 2.34, 4 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-phenyl-6-(4-pyrimidin-2-ylpiperazin-1-yl)pyrimidin-4-amine is sourced from PubChem (CID 112863373), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).