6-(4-methylpiperazin-1-yl)-N-(2,4,6-trimethylphenyl)pyrimidin-4-amine

C18H25N5 — CID 112857972

IUPAC6-(4-methylpiperazin-1-yl)-N-(2,4,6-trimethylphenyl)pyrimidin-4-amine
SMILESCc1cc(C)c(Nc2cc(N3CCN(C)CC3)ncn2)c(C)c1
InChIInChI=1S/C18H25N5/c1-13-9-14(2)18(15(3)10-13)21-16-11-17(20-12-19-16)23-7-5-22(4)6-8-23/h9-12H,5-8H2,1-4H3,(H,19,20,21)
InChIKeyVCAOZCCSCRHKQK-UHFFFAOYSA-N
MW311.43 g/mol
LogP2.90
Rot. Bonds3

About 6-(4-methylpiperazin-1-yl)-N-(2,4,6-trimethylphenyl)pyrimidin-4-amine

6-(4-methylpiperazin-1-yl)-N-(2,4,6-trimethylphenyl)pyrimidin-4-amine (PubChem CID 112857972) has the molecular formula C18H25N5 and a molecular weight of 311.43 g/mol. Its IUPAC name is 6-(4-methylpiperazin-1-yl)-N-(2,4,6-trimethylphenyl)pyrimidin-4-amine.

Molecular Properties

Compound Name6-(4-methylpiperazin-1-yl)-N-(2,4,6-trimethylphenyl)pyrimidin-4-amine
PubChem CID112857972
Molecular FormulaC18H25N5
Molecular Weight311.43 g/mol
Exact Mass311.21
IUPAC Name6-(4-methylpiperazin-1-yl)-N-(2,4,6-trimethylphenyl)pyrimidin-4-amine
SMILESCc1cc(C)c(Nc2cc(N3CCN(C)CC3)ncn2)c(C)c1
InChIInChI=1S/C18H25N5/c1-13-9-14(2)18(15(3)10-13)21-16-11-17(20-12-19-16)23-7-5-22(4)6-8-23/h9-12H,5-8H2,1-4H3,(H,19,20,21)
InChIKeyVCAOZCCSCRHKQK-UHFFFAOYSA-N
XLogP2.90
TPSA44.29 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500311.43
LogP ≤ 52.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

6-piperidin-1-yl-N-(2,4,6-trimethylphenyl)pyrimidin-4-amine
CID 112856096
6-morpholin-4-yl-N-(2,4,6-trimethylphenyl)pyrimidin-4-amine
CID 112857101
6-(4-methylpiperidin-1-yl)-N-(2,4,6-trimethylphenyl)pyrimidin-4-amine
CID 112856437
6-(4-pyridin-2-ylpiperazin-1-yl)-N-(2,4,6-trimethylphenyl)pyrimidin-4-amine
CID 112863311
N-(2-chloro-4,6-dimethylphenyl)-6-piperidin-1-ylpyrimidin-4-amine
CID 112856110
6-(4-methylpiperazin-1-yl)-N-(2-methylsulfanylphenyl)pyrimidin-4-amine
CID 99968435
N-(4-ethylphenyl)-6-(4-methylpiperazin-1-yl)pyrimidin-4-amine
CID 99968384
2,4-dimethyl-N-[6-(4-methylpiperazin-1-yl)pyrimidin-4-yl]benzamide
CID 90543966
6-(4-methylpiperazin-1-yl)-N-(2-methylpropyl)pyrimidin-4-amine
CID 58940632
N-(4-methylphenyl)-6-(4-phenylpiperazin-1-yl)pyrimidin-4-amine
CID 112862245
N-(2,5-dimethoxyphenyl)-6-(4-methylpiperazin-1-yl)pyrimidin-4-amine
CID 99968422
N-(3-chloro-4-methoxyphenyl)-6-(4-methylpiperazin-1-yl)pyrimidin-4-amine
CID 99968425

Frequently Asked Questions

What is the IUPAC name of 6-(4-methylpiperazin-1-yl)-N-(2,4,6-trimethylphenyl)pyrimidin-4-amine?
The IUPAC name of 6-(4-methylpiperazin-1-yl)-N-(2,4,6-trimethylphenyl)pyrimidin-4-amine (CID 112857972) is 6-(4-methylpiperazin-1-yl)-N-(2,4,6-trimethylphenyl)pyrimidin-4-amine.
What is the SMILES notation for 6-(4-methylpiperazin-1-yl)-N-(2,4,6-trimethylphenyl)pyrimidin-4-amine?
The canonical SMILES for 6-(4-methylpiperazin-1-yl)-N-(2,4,6-trimethylphenyl)pyrimidin-4-amine is Cc1cc(C)c(Nc2cc(N3CCN(C)CC3)ncn2)c(C)c1.
What is the InChIKey of 6-(4-methylpiperazin-1-yl)-N-(2,4,6-trimethylphenyl)pyrimidin-4-amine?
The InChIKey is VCAOZCCSCRHKQK-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H25N5/c1-13-9-14(2)18(15(3)10-13)21-16-11-17(20-12-19-16)23-7-5-22(4)6-8-23/h9-12H,5-8H2,1-4H3,(H,19,20,21).
What are the key properties of 6-(4-methylpiperazin-1-yl)-N-(2,4,6-trimethylphenyl)pyrimidin-4-amine?
6-(4-methylpiperazin-1-yl)-N-(2,4,6-trimethylphenyl)pyrimidin-4-amine has a molecular weight of 311.43 g/mol, XLogP of 2.90, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(4-methylpiperazin-1-yl)-N-(2,4,6-trimethylphenyl)pyrimidin-4-amine is sourced from PubChem (CID 112857972), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).