6-methyl-2-(4-phenylpiperazin-1-yl)-N-(pyridin-2-ylmethyl)pyrimidin-4-amine

C21H24N6 — CID 112919106

IUPAC6-methyl-2-(4-phenylpiperazin-1-yl)-N-(pyridin-2-ylmethyl)pyrimidin-4-amine
SMILESCc1cc(NCc2ccccn2)nc(N2CCN(c3ccccc3)CC2)n1
InChIInChI=1S/C21H24N6/c1-17-15-20(23-16-18-7-5-6-10-22-18)25-21(24-17)27-13-11-26(12-14-27)19-8-3-2-4-9-19/h2-10,15H,11-14,16H2,1H3,(H,23,24,25)
InChIKeyGNWHMCVHLLQEKA-UHFFFAOYSA-N
MW360.47 g/mol
LogP3.12
Rot. Bonds5

About 6-methyl-2-(4-phenylpiperazin-1-yl)-N-(pyridin-2-ylmethyl)pyrimidin-4-amine

6-methyl-2-(4-phenylpiperazin-1-yl)-N-(pyridin-2-ylmethyl)pyrimidin-4-amine (PubChem CID 112919106) has the molecular formula C21H24N6 and a molecular weight of 360.47 g/mol. Its IUPAC name is 6-methyl-2-(4-phenylpiperazin-1-yl)-N-(pyridin-2-ylmethyl)pyrimidin-4-amine.

Molecular Properties

Compound Name6-methyl-2-(4-phenylpiperazin-1-yl)-N-(pyridin-2-ylmethyl)pyrimidin-4-amine
PubChem CID112919106
Molecular FormulaC21H24N6
Molecular Weight360.47 g/mol
Exact Mass360.21
IUPAC Name6-methyl-2-(4-phenylpiperazin-1-yl)-N-(pyridin-2-ylmethyl)pyrimidin-4-amine
SMILESCc1cc(NCc2ccccn2)nc(N2CCN(c3ccccc3)CC2)n1
InChIInChI=1S/C21H24N6/c1-17-15-20(23-16-18-7-5-6-10-22-18)25-21(24-17)27-13-11-26(12-14-27)19-8-3-2-4-9-19/h2-10,15H,11-14,16H2,1H3,(H,23,24,25)
InChIKeyGNWHMCVHLLQEKA-UHFFFAOYSA-N
XLogP3.12
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 ≤ 53.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

6-methyl-2-morpholin-4-yl-N-(pyridin-2-ylmethyl)pyrimidin-4-amine
CID 112912256
3-(4-phenylpiperazin-1-yl)-N-(pyridin-2-ylmethyl)-1,2,4-triazin-5-amine
CID 112951853
2-(4-methylpiperazin-1-yl)-6-phenyl-N-(pyridin-2-ylmethyl)pyrimidin-4-amine
CID 112936354
6-methyl-2-N-(4-piperidin-1-ylphenyl)-4-N-(pyridin-2-ylmethyl)pyrimidine-2,4-diamine
CID 112919208
6-methyl-N-(2-phenylethyl)-2-(4-pyrimidin-2-ylpiperazin-1-yl)pyrimidin-4-amine
CID 112920054
6-[4-(4-methoxyphenyl)piperazin-1-yl]-2-methyl-N-(pyridin-2-ylmethyl)pyrimidin-4-amine
CID 112873258
2-chloro-6-methyl-N-(pyridin-2-ylmethyl)pyrimidin-4-amine
CID 62476257
4-N-benzyl-6-methyl-2-N-(pyridin-2-ylmethyl)pyrimidine-2,4-diamine
CID 112915471
2-methyl-6-(pyridin-2-ylmethylamino)pyridine-4-carboxylic acid
CID 113378528
6-methyl-2-N-phenyl-4-N-(pyridin-2-ylmethyl)pyrimidine-2,4-diamine
CID 112919143
6-methyl-N-(2-methylphenyl)-2-(4-phenylpiperazin-1-yl)pyrimidin-4-amine
CID 112922247
6-methyl-2-(4-phenylpiperazin-1-yl)-N-(4-propan-2-ylphenyl)pyrimidin-4-amine
CID 112922264

Frequently Asked Questions

What is the IUPAC name of 6-methyl-2-(4-phenylpiperazin-1-yl)-N-(pyridin-2-ylmethyl)pyrimidin-4-amine?
The IUPAC name of 6-methyl-2-(4-phenylpiperazin-1-yl)-N-(pyridin-2-ylmethyl)pyrimidin-4-amine (CID 112919106) is 6-methyl-2-(4-phenylpiperazin-1-yl)-N-(pyridin-2-ylmethyl)pyrimidin-4-amine.
What is the SMILES notation for 6-methyl-2-(4-phenylpiperazin-1-yl)-N-(pyridin-2-ylmethyl)pyrimidin-4-amine?
The canonical SMILES for 6-methyl-2-(4-phenylpiperazin-1-yl)-N-(pyridin-2-ylmethyl)pyrimidin-4-amine is Cc1cc(NCc2ccccn2)nc(N2CCN(c3ccccc3)CC2)n1.
What is the InChIKey of 6-methyl-2-(4-phenylpiperazin-1-yl)-N-(pyridin-2-ylmethyl)pyrimidin-4-amine?
The InChIKey is GNWHMCVHLLQEKA-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H24N6/c1-17-15-20(23-16-18-7-5-6-10-22-18)25-21(24-17)27-13-11-26(12-14-27)19-8-3-2-4-9-19/h2-10,15H,11-14,16H2,1H3,(H,23,24,25).
What are the key properties of 6-methyl-2-(4-phenylpiperazin-1-yl)-N-(pyridin-2-ylmethyl)pyrimidin-4-amine?
6-methyl-2-(4-phenylpiperazin-1-yl)-N-(pyridin-2-ylmethyl)pyrimidin-4-amine has a molecular weight of 360.47 g/mol, XLogP of 3.12, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6-methyl-2-(4-phenylpiperazin-1-yl)-N-(pyridin-2-ylmethyl)pyrimidin-4-amine is sourced from PubChem (CID 112919106), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).