N-benzyl-2-(4-methylpiperazin-1-yl)-6-phenylpyrimidin-4-amine

C22H25N5 — CID 112936341

IUPACN-benzyl-2-(4-methylpiperazin-1-yl)-6-phenylpyrimidin-4-amine
SMILESCN1CCN(c2nc(NCc3ccccc3)cc(-c3ccccc3)n2)CC1
InChIInChI=1S/C22H25N5/c1-26-12-14-27(15-13-26)22-24-20(19-10-6-3-7-11-19)16-21(25-22)23-17-18-8-4-2-5-9-18/h2-11,16H,12-15,17H2,1H3,(H,23,24,25)
InChIKeyRFPYRXIBFBABHX-UHFFFAOYSA-N
MW359.48 g/mol
LogP3.51
Rot. Bonds5

About N-benzyl-2-(4-methylpiperazin-1-yl)-6-phenylpyrimidin-4-amine

N-benzyl-2-(4-methylpiperazin-1-yl)-6-phenylpyrimidin-4-amine (PubChem CID 112936341) has the molecular formula C22H25N5 and a molecular weight of 359.48 g/mol. Its IUPAC name is N-benzyl-2-(4-methylpiperazin-1-yl)-6-phenylpyrimidin-4-amine.

Molecular Properties

Compound NameN-benzyl-2-(4-methylpiperazin-1-yl)-6-phenylpyrimidin-4-amine
PubChem CID112936341
Molecular FormulaC22H25N5
Molecular Weight359.48 g/mol
Exact Mass359.21
IUPAC NameN-benzyl-2-(4-methylpiperazin-1-yl)-6-phenylpyrimidin-4-amine
SMILESCN1CCN(c2nc(NCc3ccccc3)cc(-c3ccccc3)n2)CC1
InChIInChI=1S/C22H25N5/c1-26-12-14-27(15-13-26)22-24-20(19-10-6-3-7-11-19)16-21(25-22)23-17-18-8-4-2-5-9-18/h2-11,16H,12-15,17H2,1H3,(H,23,24,25)
InChIKeyRFPYRXIBFBABHX-UHFFFAOYSA-N
XLogP3.51
TPSA44.29 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500359.48
LogP ≤ 53.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2-(4-methylpiperazin-1-yl)-6-phenyl-N-(pyridin-3-ylmethyl)pyrimidin-4-amine
CID 112936355
2-(4-methylpiperazin-1-yl)-6-phenyl-N-(pyridin-2-ylmethyl)pyrimidin-4-amine
CID 112936354
4-[4-(benzylamino)-6-phenylpyrimidin-2-yl]piperazine-1-carbaldehyde
CID 112936607
N-benzyl-2-morpholin-4-yl-6-phenylpyrimidin-4-amine
CID 112935485
N-(3-methylbutyl)-2-(4-methylpiperazin-1-yl)-6-phenylpyrimidin-4-amine
CID 112936368
N-cyclopropyl-2-(4-methylpiperazin-1-yl)-6-phenylpyrimidin-4-amine
CID 112932936
6-phenyl-2-(4-phenylpiperazin-1-yl)-N-propylpyrimidin-4-amine
CID 112932417
N-(2-chlorophenyl)-2-(4-methylpiperazin-1-yl)-6-phenylpyrimidin-4-amine
CID 112936397
N-(4-chlorophenyl)-2-(4-methylpiperazin-1-yl)-6-phenylpyrimidin-4-amine
CID 112936399
4-[4-phenyl-6-(pyridin-3-ylmethylamino)pyrimidin-2-yl]piperazine-1-carbaldehyde
CID 112936616
N-benzyl-2-methyl-6-phenylpyrimidin-4-amine
CID 16957885
6-phenyl-N-propyl-2-(4-pyrimidin-2-ylpiperazin-1-yl)pyrimidin-4-amine
CID 112932430

Frequently Asked Questions

What is the IUPAC name of N-benzyl-2-(4-methylpiperazin-1-yl)-6-phenylpyrimidin-4-amine?
The IUPAC name of N-benzyl-2-(4-methylpiperazin-1-yl)-6-phenylpyrimidin-4-amine (CID 112936341) is N-benzyl-2-(4-methylpiperazin-1-yl)-6-phenylpyrimidin-4-amine.
What is the SMILES notation for N-benzyl-2-(4-methylpiperazin-1-yl)-6-phenylpyrimidin-4-amine?
The canonical SMILES for N-benzyl-2-(4-methylpiperazin-1-yl)-6-phenylpyrimidin-4-amine is CN1CCN(c2nc(NCc3ccccc3)cc(-c3ccccc3)n2)CC1.
What is the InChIKey of N-benzyl-2-(4-methylpiperazin-1-yl)-6-phenylpyrimidin-4-amine?
The InChIKey is RFPYRXIBFBABHX-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H25N5/c1-26-12-14-27(15-13-26)22-24-20(19-10-6-3-7-11-19)16-21(25-22)23-17-18-8-4-2-5-9-18/h2-11,16H,12-15,17H2,1H3,(H,23,24,25).
What are the key properties of N-benzyl-2-(4-methylpiperazin-1-yl)-6-phenylpyrimidin-4-amine?
N-benzyl-2-(4-methylpiperazin-1-yl)-6-phenylpyrimidin-4-amine has a molecular weight of 359.48 g/mol, XLogP of 3.51, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-benzyl-2-(4-methylpiperazin-1-yl)-6-phenylpyrimidin-4-amine is sourced from PubChem (CID 112936341), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).