6-[4-(2,3-dimethylphenyl)piperazin-1-yl]-N-(pyridin-2-ylmethyl)pyrimidin-4-amine

C22H26N6 — CID 112860583

IUPAC6-[4-(2,3-dimethylphenyl)piperazin-1-yl]-N-(pyridin-2-ylmethyl)pyrimidin-4-amine
SMILESCc1cccc(N2CCN(c3cc(NCc4ccccn4)ncn3)CC2)c1C
InChIInChI=1S/C22H26N6/c1-17-6-5-8-20(18(17)2)27-10-12-28(13-11-27)22-14-21(25-16-26-22)24-15-19-7-3-4-9-23-19/h3-9,14,16H,10-13,15H2,1-2H3,(H,24,25,26)
InChIKeyYTZPEAOBUAOPFC-UHFFFAOYSA-N
MW374.49 g/mol
LogP3.43
Rot. Bonds5

About 6-[4-(2,3-dimethylphenyl)piperazin-1-yl]-N-(pyridin-2-ylmethyl)pyrimidin-4-amine

6-[4-(2,3-dimethylphenyl)piperazin-1-yl]-N-(pyridin-2-ylmethyl)pyrimidin-4-amine (PubChem CID 112860583) has the molecular formula C22H26N6 and a molecular weight of 374.49 g/mol. Its IUPAC name is 6-[4-(2,3-dimethylphenyl)piperazin-1-yl]-N-(pyridin-2-ylmethyl)pyrimidin-4-amine.

Molecular Properties

Compound Name6-[4-(2,3-dimethylphenyl)piperazin-1-yl]-N-(pyridin-2-ylmethyl)pyrimidin-4-amine
PubChem CID112860583
Molecular FormulaC22H26N6
Molecular Weight374.49 g/mol
Exact Mass374.22
IUPAC Name6-[4-(2,3-dimethylphenyl)piperazin-1-yl]-N-(pyridin-2-ylmethyl)pyrimidin-4-amine
SMILESCc1cccc(N2CCN(c3cc(NCc4ccccn4)ncn3)CC2)c1C
InChIInChI=1S/C22H26N6/c1-17-6-5-8-20(18(17)2)27-10-12-28(13-11-27)22-14-21(25-16-26-22)24-15-19-7-3-4-9-23-19/h3-9,14,16H,10-13,15H2,1-2H3,(H,24,25,26)
InChIKeyYTZPEAOBUAOPFC-UHFFFAOYSA-N
XLogP3.43
TPSA57.18 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500374.49
LogP ≤ 53.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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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
6-[4-(2,3-dimethylphenyl)piperazin-1-yl]-N-(3-methoxypropyl)pyrimidin-4-amine
CID 112856883
2-[4-(2,3-dimethylphenyl)piperazin-1-yl]-N-(pyridin-2-ylmethyl)acetamide
CID 46056291
N-(2,3-dimethylphenyl)-6-(4-pyridin-2-ylpiperazin-1-yl)pyrimidin-4-amine
CID 112863304
4-[6-[4-(2,3-dimethylphenyl)piperazin-1-yl]pyrimidin-4-yl]piperazine-1-carbaldehyde
CID 112858244
6-(3,5-dimethylpyrazol-1-yl)-N-(pyridin-2-ylmethyl)pyrimidin-4-amine
CID 53015129
6-(3,4-dimethylpiperazin-1-yl)-N-[(6-pyridin-2-yl-2-pyridinyl)methyl]pyrimidin-4-amine
CID 167810447
6-[4-(4-methoxyphenyl)piperazin-1-yl]-2-methyl-N-(pyridin-2-ylmethyl)pyrimidin-4-amine
CID 112873258
6-[4-(4-fluorophenyl)piperazin-1-yl]-N-[(2-methylphenyl)methyl]pyrimidin-4-amine
CID 112858906
N-[(4-methylphenyl)methyl]-6-(4-phenylpiperazin-1-yl)pyrimidin-4-amine
CID 112859172
6-(4-benzylpiperazin-1-yl)-2-methyl-N-(pyridin-2-ylmethyl)pyrimidin-4-amine
CID 112873221

Frequently Asked Questions

What is the IUPAC name of 6-[4-(2,3-dimethylphenyl)piperazin-1-yl]-N-(pyridin-2-ylmethyl)pyrimidin-4-amine?
The IUPAC name of 6-[4-(2,3-dimethylphenyl)piperazin-1-yl]-N-(pyridin-2-ylmethyl)pyrimidin-4-amine (CID 112860583) is 6-[4-(2,3-dimethylphenyl)piperazin-1-yl]-N-(pyridin-2-ylmethyl)pyrimidin-4-amine.
What is the SMILES notation for 6-[4-(2,3-dimethylphenyl)piperazin-1-yl]-N-(pyridin-2-ylmethyl)pyrimidin-4-amine?
The canonical SMILES for 6-[4-(2,3-dimethylphenyl)piperazin-1-yl]-N-(pyridin-2-ylmethyl)pyrimidin-4-amine is Cc1cccc(N2CCN(c3cc(NCc4ccccn4)ncn3)CC2)c1C.
What is the InChIKey of 6-[4-(2,3-dimethylphenyl)piperazin-1-yl]-N-(pyridin-2-ylmethyl)pyrimidin-4-amine?
The InChIKey is YTZPEAOBUAOPFC-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H26N6/c1-17-6-5-8-20(18(17)2)27-10-12-28(13-11-27)22-14-21(25-16-26-22)24-15-19-7-3-4-9-23-19/h3-9,14,16H,10-13,15H2,1-2H3,(H,24,25,26).
What are the key properties of 6-[4-(2,3-dimethylphenyl)piperazin-1-yl]-N-(pyridin-2-ylmethyl)pyrimidin-4-amine?
6-[4-(2,3-dimethylphenyl)piperazin-1-yl]-N-(pyridin-2-ylmethyl)pyrimidin-4-amine has a molecular weight of 374.49 g/mol, XLogP of 3.43, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[4-(2,3-dimethylphenyl)piperazin-1-yl]-N-(pyridin-2-ylmethyl)pyrimidin-4-amine is sourced from PubChem (CID 112860583), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).