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

C21H25N7 — CID 112861801

IUPACN-methyl-N-(2-pyridin-4-ylethyl)-6-(4-pyridin-2-ylpiperazin-1-yl)pyrimidin-4-amine
SMILESCN(CCc1ccncc1)c1cc(N2CCN(c3ccccn3)CC2)ncn1
InChIInChI=1S/C21H25N7/c1-26(11-7-18-5-9-22-10-6-18)20-16-21(25-17-24-20)28-14-12-27(13-15-28)19-4-2-3-8-23-19/h2-6,8-10,16-17H,7,11-15H2,1H3
InChIKeyVTKRVRIDDVHJGQ-UHFFFAOYSA-N
MW375.48 g/mol
LogP2.27
Rot. Bonds6

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

N-methyl-N-(2-pyridin-4-ylethyl)-6-(4-pyridin-2-ylpiperazin-1-yl)pyrimidin-4-amine (PubChem CID 112861801) has the molecular formula C21H25N7 and a molecular weight of 375.48 g/mol. Its IUPAC name is N-methyl-N-(2-pyridin-4-ylethyl)-6-(4-pyridin-2-ylpiperazin-1-yl)pyrimidin-4-amine.

Molecular Properties

Compound NameN-methyl-N-(2-pyridin-4-ylethyl)-6-(4-pyridin-2-ylpiperazin-1-yl)pyrimidin-4-amine
PubChem CID112861801
Molecular FormulaC21H25N7
Molecular Weight375.48 g/mol
Exact Mass375.22
IUPAC NameN-methyl-N-(2-pyridin-4-ylethyl)-6-(4-pyridin-2-ylpiperazin-1-yl)pyrimidin-4-amine
SMILESCN(CCc1ccncc1)c1cc(N2CCN(c3ccccn3)CC2)ncn1
InChIInChI=1S/C21H25N7/c1-26(11-7-18-5-9-22-10-6-18)20-16-21(25-17-24-20)28-14-12-27(13-15-28)19-4-2-3-8-23-19/h2-6,8-10,16-17H,7,11-15H2,1H3
InChIKeyVTKRVRIDDVHJGQ-UHFFFAOYSA-N
XLogP2.27
TPSA61.28 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500375.48
LogP ≤ 52.27
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

Analyze N-methyl-N-(2-pyridin-4-ylethyl)-6-(4-pyridin-2-ylpiperazin-1-yl)pyrimidin-4-amine with MolForge

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Related Compounds

N-methyl-6-(4-phenylpiperazin-1-yl)-N-(2-pyridin-4-ylethyl)pyrimidin-4-amine
CID 112861788
4-(4-ethylpiperazin-1-yl)-6-(4-pyridin-2-ylpiperazin-1-yl)pyrimidine
CID 112858073
N,2-dimethyl-6-piperidin-1-yl-N-(2-pyridin-4-ylethyl)pyrimidin-4-amine
CID 112868823
N-methyl-N-(2-pyridin-4-ylethyl)-6-(trifluoromethyl)pyrimidin-4-amine
CID 154882630
ethane;4-piperazin-1-yl-6-(4-pyridin-2-ylpiperazin-1-yl)pyrimidine;propane
CID 171069989
6-N-tert-butyl-4-N-methyl-4-N-(2-pyridin-4-ylethyl)pyrimidine-4,6-diamine
CID 112861806
4-N-methyl-6-N-(4-methylphenyl)-4-N-(2-pyridin-4-ylethyl)pyrimidine-4,6-diamine
CID 112861821
4-[6-[benzyl(methyl)amino]pyrimidin-4-yl]piperazine-1-carbaldehyde
CID 112858208
N-methyl-6-piperidin-1-yl-N-[2-(1,3-thiazol-2-yl)ethyl]pyrimidin-4-amine
CID 133413104
2-[6-[methyl(2-pyridin-4-ylethyl)amino]pyrimidin-4-yl]-4-pyridin-3-yl-1H-pyrazol-3-one
CID 70303587
(4-ethylpiperazin-1-yl)-[6-[methyl(2-pyridin-4-ylethyl)amino]pyrimidin-4-yl]methanone
CID 109345427
4-[4-(2-fluorophenyl)piperazin-1-yl]-N-methyl-N-(2-pyridin-4-ylethyl)pyrimidin-2-amine
CID 112895723

Frequently Asked Questions

What is the IUPAC name of N-methyl-N-(2-pyridin-4-ylethyl)-6-(4-pyridin-2-ylpiperazin-1-yl)pyrimidin-4-amine?
The IUPAC name of N-methyl-N-(2-pyridin-4-ylethyl)-6-(4-pyridin-2-ylpiperazin-1-yl)pyrimidin-4-amine (CID 112861801) is N-methyl-N-(2-pyridin-4-ylethyl)-6-(4-pyridin-2-ylpiperazin-1-yl)pyrimidin-4-amine.
What is the SMILES notation for N-methyl-N-(2-pyridin-4-ylethyl)-6-(4-pyridin-2-ylpiperazin-1-yl)pyrimidin-4-amine?
The canonical SMILES for N-methyl-N-(2-pyridin-4-ylethyl)-6-(4-pyridin-2-ylpiperazin-1-yl)pyrimidin-4-amine is CN(CCc1ccncc1)c1cc(N2CCN(c3ccccn3)CC2)ncn1.
What is the InChIKey of N-methyl-N-(2-pyridin-4-ylethyl)-6-(4-pyridin-2-ylpiperazin-1-yl)pyrimidin-4-amine?
The InChIKey is VTKRVRIDDVHJGQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H25N7/c1-26(11-7-18-5-9-22-10-6-18)20-16-21(25-17-24-20)28-14-12-27(13-15-28)19-4-2-3-8-23-19/h2-6,8-10,16-17H,7,11-15H2,1H3.
What are the key properties of N-methyl-N-(2-pyridin-4-ylethyl)-6-(4-pyridin-2-ylpiperazin-1-yl)pyrimidin-4-amine?
N-methyl-N-(2-pyridin-4-ylethyl)-6-(4-pyridin-2-ylpiperazin-1-yl)pyrimidin-4-amine has a molecular weight of 375.48 g/mol, XLogP of 2.27, 6 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-N-(2-pyridin-4-ylethyl)-6-(4-pyridin-2-ylpiperazin-1-yl)pyrimidin-4-amine is sourced from PubChem (CID 112861801), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).