N-benzyl-6-[6-[4-(4-methylpiperazin-1-yl)phenyl]-3-pyridinyl]-2-pyridin-2-ylpyrimidin-4-amine

C32H31N7 — CID 68801004

IUPACN-benzyl-6-[6-[4-(4-methylpiperazin-1-yl)phenyl]-3-pyridinyl]-2-pyridin-2-ylpyrimidin-4-amine
SMILESCN1CCN(c2ccc(-c3ccc(-c4cc(NCc5ccccc5)nc(-c5ccccn5)n4)cn3)cc2)CC1
InChIInChI=1S/C32H31N7/c1-38-17-19-39(20-18-38)27-13-10-25(11-14-27)28-15-12-26(23-34-28)30-21-31(35-22-24-7-3-2-4-8-24)37-32(36-30)29-9-5-6-16-33-29/h2-16,21,23H,17-20,22H2,1H3,(H,35,36,37)
InChIKeyHHCNCZMOYJTBPG-UHFFFAOYSA-N
MW513.65 g/mol
LogP5.63
Rot. Bonds7

About N-benzyl-6-[6-[4-(4-methylpiperazin-1-yl)phenyl]-3-pyridinyl]-2-pyridin-2-ylpyrimidin-4-amine

N-benzyl-6-[6-[4-(4-methylpiperazin-1-yl)phenyl]-3-pyridinyl]-2-pyridin-2-ylpyrimidin-4-amine (PubChem CID 68801004) has the molecular formula C32H31N7 and a molecular weight of 513.65 g/mol. Its IUPAC name is N-benzyl-6-[6-[4-(4-methylpiperazin-1-yl)phenyl]-3-pyridinyl]-2-pyridin-2-ylpyrimidin-4-amine.

Molecular Properties

Compound NameN-benzyl-6-[6-[4-(4-methylpiperazin-1-yl)phenyl]-3-pyridinyl]-2-pyridin-2-ylpyrimidin-4-amine
PubChem CID68801004
Molecular FormulaC32H31N7
Molecular Weight513.65 g/mol
Exact Mass513.26
IUPAC NameN-benzyl-6-[6-[4-(4-methylpiperazin-1-yl)phenyl]-3-pyridinyl]-2-pyridin-2-ylpyrimidin-4-amine
SMILESCN1CCN(c2ccc(-c3ccc(-c4cc(NCc5ccccc5)nc(-c5ccccn5)n4)cn3)cc2)CC1
InChIInChI=1S/C32H31N7/c1-38-17-19-39(20-18-38)27-13-10-25(11-14-27)28-15-12-26(23-34-28)30-21-31(35-22-24-7-3-2-4-8-24)37-32(36-30)29-9-5-6-16-33-29/h2-16,21,23H,17-20,22H2,1H3,(H,35,36,37)
InChIKeyHHCNCZMOYJTBPG-UHFFFAOYSA-N
XLogP5.63
TPSA70.07 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms39
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500513.65
LogP ≤ 55.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Analyze N-benzyl-6-[6-[4-(4-methylpiperazin-1-yl)phenyl]-3-pyridinyl]-2-pyridin-2-ylpyrimidin-4-amine with MolForge

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Launch Full Analysis

Related Compounds

N-benzyl-2-(4-methylpiperazin-1-yl)-6-phenylpyrimidin-4-amine
CID 112936341
3-[[[6-[5-[4-[(4-methylpiperazin-1-yl)methyl]phenyl]-3-pyridinyl]-2-pyridin-2-ylpyrimidin-4-yl]amino]methyl]phenol
CID 24863717
3-[[6-(4-methylpiperazin-1-yl)-2-pyridin-2-ylpyrimidin-4-yl]amino]propanoic acid
CID 56963401
2-(4-methylpiperazin-1-yl)-6-phenyl-N-(pyridin-2-ylmethyl)pyrimidin-4-amine
CID 112936354
2-(4-methylpiperazin-1-yl)-6-phenyl-N-(pyridin-3-ylmethyl)pyrimidin-4-amine
CID 112936355
6-(3,5-dimethylphenyl)-4-N-[[4-(4-methylpiperazin-1-yl)phenyl]methyl]pyrimidine-2,4-diamine
CID 174775657
3-[[[6-[5-(3-morpholin-4-ylphenyl)-3-pyridinyl]-2-pyridin-2-ylpyrimidin-4-yl]amino]methyl]phenol
CID 67329208
6-(4-methylpiperazin-1-yl)-2-phenyl-N-(pyridin-4-ylmethyl)pyrimidin-4-amine
CID 112880940
N-benzyl-2-pyridin-2-yl-6-(trifluoromethyl)pyrimidin-4-amine
CID 1475716
2-pyridin-2-yl-6-pyridin-3-yl-N-(pyridin-2-ylmethyl)pyrimidin-4-amine
CID 69182655
N-(furan-2-ylmethyl)-6-phenyl-2-pyridin-2-ylpyrimidin-4-amine
CID 3314360
4-tert-butyl-6-(4-methylpiperazin-1-yl)-2-pyridin-2-ylpyrimidine
CID 155901264

Frequently Asked Questions

What is the IUPAC name of N-benzyl-6-[6-[4-(4-methylpiperazin-1-yl)phenyl]-3-pyridinyl]-2-pyridin-2-ylpyrimidin-4-amine?
The IUPAC name of N-benzyl-6-[6-[4-(4-methylpiperazin-1-yl)phenyl]-3-pyridinyl]-2-pyridin-2-ylpyrimidin-4-amine (CID 68801004) is N-benzyl-6-[6-[4-(4-methylpiperazin-1-yl)phenyl]-3-pyridinyl]-2-pyridin-2-ylpyrimidin-4-amine.
What is the SMILES notation for N-benzyl-6-[6-[4-(4-methylpiperazin-1-yl)phenyl]-3-pyridinyl]-2-pyridin-2-ylpyrimidin-4-amine?
The canonical SMILES for N-benzyl-6-[6-[4-(4-methylpiperazin-1-yl)phenyl]-3-pyridinyl]-2-pyridin-2-ylpyrimidin-4-amine is CN1CCN(c2ccc(-c3ccc(-c4cc(NCc5ccccc5)nc(-c5ccccn5)n4)cn3)cc2)CC1.
What is the InChIKey of N-benzyl-6-[6-[4-(4-methylpiperazin-1-yl)phenyl]-3-pyridinyl]-2-pyridin-2-ylpyrimidin-4-amine?
The InChIKey is HHCNCZMOYJTBPG-UHFFFAOYSA-N. The full InChI is InChI=1S/C32H31N7/c1-38-17-19-39(20-18-38)27-13-10-25(11-14-27)28-15-12-26(23-34-28)30-21-31(35-22-24-7-3-2-4-8-24)37-32(36-30)29-9-5-6-16-33-29/h2-16,21,23H,17-20,22H2,1H3,(H,35,36,37).
What are the key properties of N-benzyl-6-[6-[4-(4-methylpiperazin-1-yl)phenyl]-3-pyridinyl]-2-pyridin-2-ylpyrimidin-4-amine?
N-benzyl-6-[6-[4-(4-methylpiperazin-1-yl)phenyl]-3-pyridinyl]-2-pyridin-2-ylpyrimidin-4-amine has a molecular weight of 513.65 g/mol, XLogP of 5.63, 7 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-benzyl-6-[6-[4-(4-methylpiperazin-1-yl)phenyl]-3-pyridinyl]-2-pyridin-2-ylpyrimidin-4-amine is sourced from PubChem (CID 68801004), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).