N-(2-ethylphenyl)-4-methyl-6-(4-methylpiperazin-1-yl)pyrimidin-2-amine

C18H25N5 — CID 112913857

IUPACN-(2-ethylphenyl)-4-methyl-6-(4-methylpiperazin-1-yl)pyrimidin-2-amine
SMILESCCc1ccccc1Nc1nc(C)cc(N2CCN(C)CC2)n1
InChIInChI=1S/C18H25N5/c1-4-15-7-5-6-8-16(15)20-18-19-14(2)13-17(21-18)23-11-9-22(3)10-12-23/h5-8,13H,4,9-12H2,1-3H3,(H,19,20,21)
InChIKeyUHCBQZQZEXSISB-UHFFFAOYSA-N
MW311.43 g/mol
LogP2.84
Rot. Bonds4

About N-(2-ethylphenyl)-4-methyl-6-(4-methylpiperazin-1-yl)pyrimidin-2-amine

N-(2-ethylphenyl)-4-methyl-6-(4-methylpiperazin-1-yl)pyrimidin-2-amine (PubChem CID 112913857) has the molecular formula C18H25N5 and a molecular weight of 311.43 g/mol. Its IUPAC name is N-(2-ethylphenyl)-4-methyl-6-(4-methylpiperazin-1-yl)pyrimidin-2-amine.

Molecular Properties

Compound NameN-(2-ethylphenyl)-4-methyl-6-(4-methylpiperazin-1-yl)pyrimidin-2-amine
PubChem CID112913857
Molecular FormulaC18H25N5
Molecular Weight311.43 g/mol
Exact Mass311.21
IUPAC NameN-(2-ethylphenyl)-4-methyl-6-(4-methylpiperazin-1-yl)pyrimidin-2-amine
SMILESCCc1ccccc1Nc1nc(C)cc(N2CCN(C)CC2)n1
InChIInChI=1S/C18H25N5/c1-4-15-7-5-6-8-16(15)20-18-19-14(2)13-17(21-18)23-11-9-22(3)10-12-23/h5-8,13H,4,9-12H2,1-3H3,(H,19,20,21)
InChIKeyUHCBQZQZEXSISB-UHFFFAOYSA-N
XLogP2.84
TPSA44.29 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500311.43
LogP ≤ 52.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-(2-ethylphenyl)-4-[4-(4-fluorophenyl)piperazin-1-yl]-6-methylpyrimidin-2-amine
CID 112922320
N-(2-chlorophenyl)-4-methyl-6-(4-methylpiperazin-1-yl)pyrimidin-2-amine
CID 112913869
2-[[4-methyl-6-(4-methylpiperazin-1-yl)pyrimidin-2-yl]amino]benzonitrile
CID 112913942
4-[6-methyl-2-(2-methylanilino)pyrimidin-4-yl]piperazine-1-carbaldehyde
CID 112914538
N-(2-tert-butylphenyl)-4-(4-ethylpiperazin-1-yl)-6-methylpyrimidin-2-amine
CID 112914216
4-[2-(2-ethoxyanilino)-6-methylpyrimidin-4-yl]piperazine-1-carbaldehyde
CID 112914579
4-[2-(2-fluoroanilino)-6-methylpyrimidin-4-yl]piperazine-1-carbaldehyde
CID 112914561
N-(2,6-diethylphenyl)-4-methyl-6-(4-methylpiperidin-1-yl)pyrimidin-2-amine
CID 112910772
1-[4-[2-(2-tert-butylanilino)-6-methylpyrimidin-4-yl]piperazin-1-yl]ethanone
CID 112914896
4-[6-methyl-2-[2-(trifluoromethyl)anilino]pyrimidin-4-yl]piperazine-1-carbaldehyde
CID 112914587
N-(2-ethylphenyl)-5-(4-phenylpiperazin-1-yl)-1,2,4-triazin-3-amine
CID 112955465
4-methyl-N-(2-methylphenyl)-6-morpholin-4-ylpyrimidin-2-amine
CID 112912131

Frequently Asked Questions

What is the IUPAC name of N-(2-ethylphenyl)-4-methyl-6-(4-methylpiperazin-1-yl)pyrimidin-2-amine?
The IUPAC name of N-(2-ethylphenyl)-4-methyl-6-(4-methylpiperazin-1-yl)pyrimidin-2-amine (CID 112913857) is N-(2-ethylphenyl)-4-methyl-6-(4-methylpiperazin-1-yl)pyrimidin-2-amine.
What is the SMILES notation for N-(2-ethylphenyl)-4-methyl-6-(4-methylpiperazin-1-yl)pyrimidin-2-amine?
The canonical SMILES for N-(2-ethylphenyl)-4-methyl-6-(4-methylpiperazin-1-yl)pyrimidin-2-amine is CCc1ccccc1Nc1nc(C)cc(N2CCN(C)CC2)n1.
What is the InChIKey of N-(2-ethylphenyl)-4-methyl-6-(4-methylpiperazin-1-yl)pyrimidin-2-amine?
The InChIKey is UHCBQZQZEXSISB-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H25N5/c1-4-15-7-5-6-8-16(15)20-18-19-14(2)13-17(21-18)23-11-9-22(3)10-12-23/h5-8,13H,4,9-12H2,1-3H3,(H,19,20,21).
What are the key properties of N-(2-ethylphenyl)-4-methyl-6-(4-methylpiperazin-1-yl)pyrimidin-2-amine?
N-(2-ethylphenyl)-4-methyl-6-(4-methylpiperazin-1-yl)pyrimidin-2-amine has a molecular weight of 311.43 g/mol, XLogP of 2.84, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-ethylphenyl)-4-methyl-6-(4-methylpiperazin-1-yl)pyrimidin-2-amine is sourced from PubChem (CID 112913857), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).