2-(4-methylpiperazin-1-yl)-6-phenyl-N-(pyridin-3-ylmethyl)pyrimidin-4-amine

C21H24N6 — CID 112936355

IUPAC2-(4-methylpiperazin-1-yl)-6-phenyl-N-(pyridin-3-ylmethyl)pyrimidin-4-amine
SMILESCN1CCN(c2nc(NCc3cccnc3)cc(-c3ccccc3)n2)CC1
InChIInChI=1S/C21H24N6/c1-26-10-12-27(13-11-26)21-24-19(18-7-3-2-4-8-18)14-20(25-21)23-16-17-6-5-9-22-15-17/h2-9,14-15H,10-13,16H2,1H3,(H,23,24,25)
InChIKeyWARBQHIWCNCJLK-UHFFFAOYSA-N
MW360.47 g/mol
LogP2.90
Rot. Bonds5

About 2-(4-methylpiperazin-1-yl)-6-phenyl-N-(pyridin-3-ylmethyl)pyrimidin-4-amine

2-(4-methylpiperazin-1-yl)-6-phenyl-N-(pyridin-3-ylmethyl)pyrimidin-4-amine (PubChem CID 112936355) has the molecular formula C21H24N6 and a molecular weight of 360.47 g/mol. Its IUPAC name is 2-(4-methylpiperazin-1-yl)-6-phenyl-N-(pyridin-3-ylmethyl)pyrimidin-4-amine.

Molecular Properties

Compound Name2-(4-methylpiperazin-1-yl)-6-phenyl-N-(pyridin-3-ylmethyl)pyrimidin-4-amine
PubChem CID112936355
Molecular FormulaC21H24N6
Molecular Weight360.47 g/mol
Exact Mass360.21
IUPAC Name2-(4-methylpiperazin-1-yl)-6-phenyl-N-(pyridin-3-ylmethyl)pyrimidin-4-amine
SMILESCN1CCN(c2nc(NCc3cccnc3)cc(-c3ccccc3)n2)CC1
InChIInChI=1S/C21H24N6/c1-26-10-12-27(13-11-26)21-24-19(18-7-3-2-4-8-18)14-20(25-21)23-16-17-6-5-9-22-15-17/h2-9,14-15H,10-13,16H2,1H3,(H,23,24,25)
InChIKeyWARBQHIWCNCJLK-UHFFFAOYSA-N
XLogP2.90
TPSA57.18 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500360.47
LogP ≤ 52.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

N-benzyl-2-(4-methylpiperazin-1-yl)-6-phenylpyrimidin-4-amine
CID 112936341
4-[4-phenyl-6-(pyridin-3-ylmethylamino)pyrimidin-2-yl]piperazine-1-carbaldehyde
CID 112936616
2-morpholin-4-yl-6-phenyl-N-(pyridin-3-ylmethyl)pyrimidin-4-amine
CID 112935500
2-(4-methylpiperazin-1-yl)-6-phenyl-N-(pyridin-2-ylmethyl)pyrimidin-4-amine
CID 112936354
2-(2-ethylpiperidin-1-yl)-6-phenyl-N-(pyridin-3-ylmethyl)pyrimidin-4-amine
CID 112937236
2-methyl-6-(4-methylpiperazin-1-yl)-N-(pyridin-3-ylmethyl)pyrimidin-4-amine
CID 112870708
N-(3-methylbutyl)-2-(4-methylpiperazin-1-yl)-6-phenylpyrimidin-4-amine
CID 112936368
4-[4-(benzylamino)-6-phenylpyrimidin-2-yl]piperazine-1-carbaldehyde
CID 112936607
N-benzyl-2-morpholin-4-yl-6-phenylpyrimidin-4-amine
CID 112935485
4-[4-methyl-6-(pyridin-3-ylmethylamino)pyrimidin-2-yl]piperazine-1-carbaldehyde
CID 112914660
N-cyclopropyl-2-(4-methylpiperazin-1-yl)-6-phenylpyrimidin-4-amine
CID 112932936
6-methyl-2-morpholin-4-yl-N-(pyridin-3-ylmethyl)pyrimidin-4-amine
CID 112912257

Frequently Asked Questions

What is the IUPAC name of 2-(4-methylpiperazin-1-yl)-6-phenyl-N-(pyridin-3-ylmethyl)pyrimidin-4-amine?
The IUPAC name of 2-(4-methylpiperazin-1-yl)-6-phenyl-N-(pyridin-3-ylmethyl)pyrimidin-4-amine (CID 112936355) is 2-(4-methylpiperazin-1-yl)-6-phenyl-N-(pyridin-3-ylmethyl)pyrimidin-4-amine.
What is the SMILES notation for 2-(4-methylpiperazin-1-yl)-6-phenyl-N-(pyridin-3-ylmethyl)pyrimidin-4-amine?
The canonical SMILES for 2-(4-methylpiperazin-1-yl)-6-phenyl-N-(pyridin-3-ylmethyl)pyrimidin-4-amine is CN1CCN(c2nc(NCc3cccnc3)cc(-c3ccccc3)n2)CC1.
What is the InChIKey of 2-(4-methylpiperazin-1-yl)-6-phenyl-N-(pyridin-3-ylmethyl)pyrimidin-4-amine?
The InChIKey is WARBQHIWCNCJLK-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H24N6/c1-26-10-12-27(13-11-26)21-24-19(18-7-3-2-4-8-18)14-20(25-21)23-16-17-6-5-9-22-15-17/h2-9,14-15H,10-13,16H2,1H3,(H,23,24,25).
What are the key properties of 2-(4-methylpiperazin-1-yl)-6-phenyl-N-(pyridin-3-ylmethyl)pyrimidin-4-amine?
2-(4-methylpiperazin-1-yl)-6-phenyl-N-(pyridin-3-ylmethyl)pyrimidin-4-amine has a molecular weight of 360.47 g/mol, XLogP of 2.90, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-methylpiperazin-1-yl)-6-phenyl-N-(pyridin-3-ylmethyl)pyrimidin-4-amine is sourced from PubChem (CID 112936355), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).