N-(3,4-dimethylphenyl)-6-methyl-2-(4-pyrimidin-2-ylpiperazin-1-yl)pyrimidin-4-amine

C21H25N7 — CID 112924034

IUPACN-(3,4-dimethylphenyl)-6-methyl-2-(4-pyrimidin-2-ylpiperazin-1-yl)pyrimidin-4-amine
SMILESCc1cc(Nc2ccc(C)c(C)c2)nc(N2CCN(c3ncccn3)CC2)n1
InChIInChI=1S/C21H25N7/c1-15-5-6-18(13-16(15)2)25-19-14-17(3)24-21(26-19)28-11-9-27(10-12-28)20-22-7-4-8-23-20/h4-8,13-14H,9-12H2,1-3H3,(H,24,25,26)
InChIKeyMFTKPVPEDXJISS-UHFFFAOYSA-N
MW375.48 g/mol
LogP3.26
Rot. Bonds4

About N-(3,4-dimethylphenyl)-6-methyl-2-(4-pyrimidin-2-ylpiperazin-1-yl)pyrimidin-4-amine

N-(3,4-dimethylphenyl)-6-methyl-2-(4-pyrimidin-2-ylpiperazin-1-yl)pyrimidin-4-amine (PubChem CID 112924034) has the molecular formula C21H25N7 and a molecular weight of 375.48 g/mol. Its IUPAC name is N-(3,4-dimethylphenyl)-6-methyl-2-(4-pyrimidin-2-ylpiperazin-1-yl)pyrimidin-4-amine.

Molecular Properties

Compound NameN-(3,4-dimethylphenyl)-6-methyl-2-(4-pyrimidin-2-ylpiperazin-1-yl)pyrimidin-4-amine
PubChem CID112924034
Molecular FormulaC21H25N7
Molecular Weight375.48 g/mol
Exact Mass375.22
IUPAC NameN-(3,4-dimethylphenyl)-6-methyl-2-(4-pyrimidin-2-ylpiperazin-1-yl)pyrimidin-4-amine
SMILESCc1cc(Nc2ccc(C)c(C)c2)nc(N2CCN(c3ncccn3)CC2)n1
InChIInChI=1S/C21H25N7/c1-15-5-6-18(13-16(15)2)25-19-14-17(3)24-21(26-19)28-11-9-27(10-12-28)20-22-7-4-8-23-20/h4-8,13-14H,9-12H2,1-3H3,(H,24,25,26)
InChIKeyMFTKPVPEDXJISS-UHFFFAOYSA-N
XLogP3.26
TPSA70.07 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500375.48
LogP ≤ 53.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

N-(3,4-dimethylphenyl)-6-methyl-2-(4-pyridin-2-ylpiperazin-1-yl)pyrimidin-4-amine
CID 112923910
N-(3-fluorophenyl)-6-methyl-2-(4-pyrimidin-2-ylpiperazin-1-yl)pyrimidin-4-amine
CID 112924064
N-(3,4-dimethylphenyl)-4-methyl-6-(4-pyrimidin-2-ylpiperazin-1-yl)pyrimidin-2-amine
CID 112923972
2-(3,4-dihydro-1H-isoquinolin-2-yl)-N-(3,4-dimethylphenyl)-6-methylpyrimidin-4-amine
CID 112920457
N-(3-bromo-4-methylphenyl)-6-methyl-2-(4-methylpiperazin-1-yl)pyrimidin-4-amine
CID 112914058
2-[4-(3-chlorophenyl)piperazin-1-yl]-N-(3,4-dimethylphenyl)pyrimidin-4-amine
CID 112898416
N-(3-chloro-4-methylphenyl)-6-methyl-2-piperidin-1-ylpyrimidin-4-amine
CID 112910263
N-(4-fluorophenyl)-6-methyl-2-(4-pyridin-2-ylpiperazin-1-yl)pyrimidin-4-amine
CID 112923922
6-methyl-N-(2-propan-2-ylphenyl)-2-(4-pyrimidin-2-ylpiperazin-1-yl)pyrimidin-4-amine
CID 112924042
N-(4-bromo-3-methylphenyl)-2-(4-ethylpiperazin-1-yl)-6-methylpyrimidin-4-amine
CID 112914441
N-(4-ethylphenyl)-6-methyl-2-(4-pyridin-2-ylpiperazin-1-yl)pyrimidin-4-amine
CID 112923915
6-methyl-N-(2-phenylethyl)-2-(4-pyrimidin-2-ylpiperazin-1-yl)pyrimidin-4-amine
CID 112920054

Frequently Asked Questions

What is the IUPAC name of N-(3,4-dimethylphenyl)-6-methyl-2-(4-pyrimidin-2-ylpiperazin-1-yl)pyrimidin-4-amine?
The IUPAC name of N-(3,4-dimethylphenyl)-6-methyl-2-(4-pyrimidin-2-ylpiperazin-1-yl)pyrimidin-4-amine (CID 112924034) is N-(3,4-dimethylphenyl)-6-methyl-2-(4-pyrimidin-2-ylpiperazin-1-yl)pyrimidin-4-amine.
What is the SMILES notation for N-(3,4-dimethylphenyl)-6-methyl-2-(4-pyrimidin-2-ylpiperazin-1-yl)pyrimidin-4-amine?
The canonical SMILES for N-(3,4-dimethylphenyl)-6-methyl-2-(4-pyrimidin-2-ylpiperazin-1-yl)pyrimidin-4-amine is Cc1cc(Nc2ccc(C)c(C)c2)nc(N2CCN(c3ncccn3)CC2)n1.
What is the InChIKey of N-(3,4-dimethylphenyl)-6-methyl-2-(4-pyrimidin-2-ylpiperazin-1-yl)pyrimidin-4-amine?
The InChIKey is MFTKPVPEDXJISS-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H25N7/c1-15-5-6-18(13-16(15)2)25-19-14-17(3)24-21(26-19)28-11-9-27(10-12-28)20-22-7-4-8-23-20/h4-8,13-14H,9-12H2,1-3H3,(H,24,25,26).
What are the key properties of N-(3,4-dimethylphenyl)-6-methyl-2-(4-pyrimidin-2-ylpiperazin-1-yl)pyrimidin-4-amine?
N-(3,4-dimethylphenyl)-6-methyl-2-(4-pyrimidin-2-ylpiperazin-1-yl)pyrimidin-4-amine has a molecular weight of 375.48 g/mol, XLogP of 3.26, 4 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3,4-dimethylphenyl)-6-methyl-2-(4-pyrimidin-2-ylpiperazin-1-yl)pyrimidin-4-amine is sourced from PubChem (CID 112924034), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).