N-benzyl-2-methyl-6-(4-pyridin-2-ylpiperazin-1-yl)pyrimidin-4-amine

C21H24N6 — CID 112871532

IUPACN-benzyl-2-methyl-6-(4-pyridin-2-ylpiperazin-1-yl)pyrimidin-4-amine
SMILESCc1nc(NCc2ccccc2)cc(N2CCN(c3ccccn3)CC2)n1
InChIInChI=1S/C21H24N6/c1-17-24-19(23-16-18-7-3-2-4-8-18)15-21(25-17)27-13-11-26(12-14-27)20-9-5-6-10-22-20/h2-10,15H,11-14,16H2,1H3,(H,23,24,25)
InChIKeyPRUZPSZUTRFGHA-UHFFFAOYSA-N
MW360.47 g/mol
LogP3.12
Rot. Bonds5

About N-benzyl-2-methyl-6-(4-pyridin-2-ylpiperazin-1-yl)pyrimidin-4-amine

N-benzyl-2-methyl-6-(4-pyridin-2-ylpiperazin-1-yl)pyrimidin-4-amine (PubChem CID 112871532) has the molecular formula C21H24N6 and a molecular weight of 360.47 g/mol. Its IUPAC name is N-benzyl-2-methyl-6-(4-pyridin-2-ylpiperazin-1-yl)pyrimidin-4-amine.

Molecular Properties

Compound NameN-benzyl-2-methyl-6-(4-pyridin-2-ylpiperazin-1-yl)pyrimidin-4-amine
PubChem CID112871532
Molecular FormulaC21H24N6
Molecular Weight360.47 g/mol
Exact Mass360.21
IUPAC NameN-benzyl-2-methyl-6-(4-pyridin-2-ylpiperazin-1-yl)pyrimidin-4-amine
SMILESCc1nc(NCc2ccccc2)cc(N2CCN(c3ccccn3)CC2)n1
InChIInChI=1S/C21H24N6/c1-17-24-19(23-16-18-7-3-2-4-8-18)15-21(25-17)27-13-11-26(12-14-27)20-9-5-6-10-22-20/h2-10,15H,11-14,16H2,1H3,(H,23,24,25)
InChIKeyPRUZPSZUTRFGHA-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-(4-benzylpiperazin-1-yl)-2-methyl-N-(pyridin-2-ylmethyl)pyrimidin-4-amine
CID 112873221
2-methyl-N-phenyl-6-(4-pyridin-2-ylpiperazin-1-yl)pyrimidin-4-amine
CID 112875519
N-(3-methoxypropyl)-2-methyl-6-(4-pyridin-2-ylpiperazin-1-yl)pyrimidin-4-amine
CID 112869691
2-methyl-N-(2-phenylethyl)-6-(4-pyrimidin-2-ylpiperazin-1-yl)pyrimidin-4-amine
CID 112873704
N-[(4-methoxyphenyl)methyl]-2-methyl-6-(4-phenylpiperazin-1-yl)pyrimidin-4-amine
CID 112872910
2-methyl-N-(2-methylphenyl)-6-(4-pyridin-2-ylpiperazin-1-yl)pyrimidin-4-amine
CID 112875520
2-methyl-6-(4-methylpiperazin-1-yl)-N-(pyridin-3-ylmethyl)pyrimidin-4-amine
CID 112870708
N-[(4-methylphenyl)methyl]-4-(4-pyridin-2-ylpiperazin-1-yl)pyrimidin-2-amine
CID 112890443
N-benzyl-2-methyl-6-(3-methylpiperidin-1-yl)pyrimidin-4-amine
CID 112871546
N-(2-ethyl-6-methylphenyl)-2-methyl-6-(4-pyridin-2-ylpiperazin-1-yl)pyrimidin-4-amine
CID 112875535
4-[2-methyl-6-[(3-methylphenyl)methylamino]pyrimidin-4-yl]piperazine-1-carbaldehyde
CID 112870995
6-[4-(4-methoxyphenyl)piperazin-1-yl]-2-methyl-N-(pyridin-2-ylmethyl)pyrimidin-4-amine
CID 112873258

Frequently Asked Questions

What is the IUPAC name of N-benzyl-2-methyl-6-(4-pyridin-2-ylpiperazin-1-yl)pyrimidin-4-amine?
The IUPAC name of N-benzyl-2-methyl-6-(4-pyridin-2-ylpiperazin-1-yl)pyrimidin-4-amine (CID 112871532) is N-benzyl-2-methyl-6-(4-pyridin-2-ylpiperazin-1-yl)pyrimidin-4-amine.
What is the SMILES notation for N-benzyl-2-methyl-6-(4-pyridin-2-ylpiperazin-1-yl)pyrimidin-4-amine?
The canonical SMILES for N-benzyl-2-methyl-6-(4-pyridin-2-ylpiperazin-1-yl)pyrimidin-4-amine is Cc1nc(NCc2ccccc2)cc(N2CCN(c3ccccn3)CC2)n1.
What is the InChIKey of N-benzyl-2-methyl-6-(4-pyridin-2-ylpiperazin-1-yl)pyrimidin-4-amine?
The InChIKey is PRUZPSZUTRFGHA-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H24N6/c1-17-24-19(23-16-18-7-3-2-4-8-18)15-21(25-17)27-13-11-26(12-14-27)20-9-5-6-10-22-20/h2-10,15H,11-14,16H2,1H3,(H,23,24,25).
What are the key properties of N-benzyl-2-methyl-6-(4-pyridin-2-ylpiperazin-1-yl)pyrimidin-4-amine?
N-benzyl-2-methyl-6-(4-pyridin-2-ylpiperazin-1-yl)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 N-benzyl-2-methyl-6-(4-pyridin-2-ylpiperazin-1-yl)pyrimidin-4-amine is sourced from PubChem (CID 112871532), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).