6-(3,4-dimethylpiperazin-1-yl)-N-[(6-pyridin-2-yl-2-pyridinyl)methyl]pyrimidin-4-amine

C21H25N7 — CID 167810447

IUPAC6-(3,4-dimethylpiperazin-1-yl)-N-[(6-pyridin-2-yl-2-pyridinyl)methyl]pyrimidin-4-amine
SMILESCC1CN(c2cc(NCc3cccc(-c4ccccn4)n3)ncn2)CCN1C
InChIInChI=1S/C21H25N7/c1-16-14-28(11-10-27(16)2)21-12-20(24-15-25-21)23-13-17-6-5-8-19(26-17)18-7-3-4-9-22-18/h3-9,12,15-16H,10-11,13-14H2,1-2H3,(H,23,24,25)
InChIKeyXYJYYLJYKDXKEI-UHFFFAOYSA-N
MW375.48 g/mol
LogP2.69
Rot. Bonds5

About 6-(3,4-dimethylpiperazin-1-yl)-N-[(6-pyridin-2-yl-2-pyridinyl)methyl]pyrimidin-4-amine

6-(3,4-dimethylpiperazin-1-yl)-N-[(6-pyridin-2-yl-2-pyridinyl)methyl]pyrimidin-4-amine (PubChem CID 167810447) has the molecular formula C21H25N7 and a molecular weight of 375.48 g/mol. Its IUPAC name is 6-(3,4-dimethylpiperazin-1-yl)-N-[(6-pyridin-2-yl-2-pyridinyl)methyl]pyrimidin-4-amine.

Molecular Properties

Compound Name6-(3,4-dimethylpiperazin-1-yl)-N-[(6-pyridin-2-yl-2-pyridinyl)methyl]pyrimidin-4-amine
PubChem CID167810447
Molecular FormulaC21H25N7
Molecular Weight375.48 g/mol
Exact Mass375.22
IUPAC Name6-(3,4-dimethylpiperazin-1-yl)-N-[(6-pyridin-2-yl-2-pyridinyl)methyl]pyrimidin-4-amine
SMILESCC1CN(c2cc(NCc3cccc(-c4ccccn4)n3)ncn2)CCN1C
InChIInChI=1S/C21H25N7/c1-16-14-28(11-10-27(16)2)21-12-20(24-15-25-21)23-13-17-6-5-8-19(26-17)18-7-3-4-9-22-18/h3-9,12,15-16H,10-11,13-14H2,1-2H3,(H,23,24,25)
InChIKeyXYJYYLJYKDXKEI-UHFFFAOYSA-N
XLogP2.69
TPSA70.07 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500375.48
LogP ≤ 52.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Analyze 6-(3,4-dimethylpiperazin-1-yl)-N-[(6-pyridin-2-yl-2-pyridinyl)methyl]pyrimidin-4-amine with MolForge

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Launch Full Analysis

Related Compounds

N-(pyridin-2-ylmethyl)-6-pyrrolidin-1-ylpyrimidin-4-amine
CID 112855662
N-(pyridin-2-ylmethyl)-6-(4-pyrimidin-2-ylpiperazin-1-yl)pyrimidin-4-amine
CID 112860589
1-[6-(3,4-dimethylpiperazin-1-yl)-2-pyridinyl]-N-methylmethanamine
CID 63621802
6-[4-(2,3-dimethylphenyl)piperazin-1-yl]-N-(pyridin-2-ylmethyl)pyrimidin-4-amine
CID 112860583
N-[(5-methylimidazo[1,2-a]pyridin-2-yl)methyl]-6-(3-methylpiperidin-1-yl)pyrimidin-4-amine
CID 127299861
N-(2-methoxyethyl)-6-(4-pyridin-2-ylpiperazin-1-yl)pyrimidin-4-amine
CID 112856705
N-[[6-(azepan-1-yl)-3-pyridinyl]methyl]-6-(3-methylpiperidin-1-yl)pyrimidin-4-amine
CID 133297091
6-methyl-N-[(6-pyridin-2-yl-2-pyridinyl)methyl]-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-4-amine
CID 138014265
6-(4-methylpiperazin-1-yl)-N-(pyridin-3-ylmethyl)pyrimidin-4-amine
CID 112857915
(3S)-N-[(6-methoxy-2-pyridinyl)methyl]-1-pyridin-2-ylpyrrolidin-3-amine
CID 124623272
N-[[3-[[ethyl(methyl)amino]methyl]phenyl]methyl]-6-(3-methylpiperidin-1-yl)pyrimidin-4-amine
CID 133309531
N-[(4-methylphenyl)methyl]-6-(4-phenylpiperazin-1-yl)pyrimidin-4-amine
CID 112859172

Frequently Asked Questions

What is the IUPAC name of 6-(3,4-dimethylpiperazin-1-yl)-N-[(6-pyridin-2-yl-2-pyridinyl)methyl]pyrimidin-4-amine?
The IUPAC name of 6-(3,4-dimethylpiperazin-1-yl)-N-[(6-pyridin-2-yl-2-pyridinyl)methyl]pyrimidin-4-amine (CID 167810447) is 6-(3,4-dimethylpiperazin-1-yl)-N-[(6-pyridin-2-yl-2-pyridinyl)methyl]pyrimidin-4-amine.
What is the SMILES notation for 6-(3,4-dimethylpiperazin-1-yl)-N-[(6-pyridin-2-yl-2-pyridinyl)methyl]pyrimidin-4-amine?
The canonical SMILES for 6-(3,4-dimethylpiperazin-1-yl)-N-[(6-pyridin-2-yl-2-pyridinyl)methyl]pyrimidin-4-amine is CC1CN(c2cc(NCc3cccc(-c4ccccn4)n3)ncn2)CCN1C.
What is the InChIKey of 6-(3,4-dimethylpiperazin-1-yl)-N-[(6-pyridin-2-yl-2-pyridinyl)methyl]pyrimidin-4-amine?
The InChIKey is XYJYYLJYKDXKEI-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H25N7/c1-16-14-28(11-10-27(16)2)21-12-20(24-15-25-21)23-13-17-6-5-8-19(26-17)18-7-3-4-9-22-18/h3-9,12,15-16H,10-11,13-14H2,1-2H3,(H,23,24,25).
What are the key properties of 6-(3,4-dimethylpiperazin-1-yl)-N-[(6-pyridin-2-yl-2-pyridinyl)methyl]pyrimidin-4-amine?
6-(3,4-dimethylpiperazin-1-yl)-N-[(6-pyridin-2-yl-2-pyridinyl)methyl]pyrimidin-4-amine has a molecular weight of 375.48 g/mol, XLogP of 2.69, 5 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(3,4-dimethylpiperazin-1-yl)-N-[(6-pyridin-2-yl-2-pyridinyl)methyl]pyrimidin-4-amine is sourced from PubChem (CID 167810447), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).