N-(2,6-diethylphenyl)-6-(4-ethylpiperazin-1-yl)pyrimidin-4-amine

C20H29N5 — CID 112858113

IUPACN-(2,6-diethylphenyl)-6-(4-ethylpiperazin-1-yl)pyrimidin-4-amine
SMILESCCc1cccc(CC)c1Nc1cc(N2CCN(CC)CC2)ncn1
InChIInChI=1S/C20H29N5/c1-4-16-8-7-9-17(5-2)20(16)23-18-14-19(22-15-21-18)25-12-10-24(6-3)11-13-25/h7-9,14-15H,4-6,10-13H2,1-3H3,(H,21,22,23)
InChIKeyMHSHSUSNSRWUOF-UHFFFAOYSA-N
MW339.49 g/mol
LogP3.49
Rot. Bonds6

About N-(2,6-diethylphenyl)-6-(4-ethylpiperazin-1-yl)pyrimidin-4-amine

N-(2,6-diethylphenyl)-6-(4-ethylpiperazin-1-yl)pyrimidin-4-amine (PubChem CID 112858113) has the molecular formula C20H29N5 and a molecular weight of 339.49 g/mol. Its IUPAC name is N-(2,6-diethylphenyl)-6-(4-ethylpiperazin-1-yl)pyrimidin-4-amine.

Molecular Properties

Compound NameN-(2,6-diethylphenyl)-6-(4-ethylpiperazin-1-yl)pyrimidin-4-amine
PubChem CID112858113
Molecular FormulaC20H29N5
Molecular Weight339.49 g/mol
Exact Mass339.24
IUPAC NameN-(2,6-diethylphenyl)-6-(4-ethylpiperazin-1-yl)pyrimidin-4-amine
SMILESCCc1cccc(CC)c1Nc1cc(N2CCN(CC)CC2)ncn1
InChIInChI=1S/C20H29N5/c1-4-16-8-7-9-17(5-2)20(16)23-18-14-19(22-15-21-18)25-12-10-24(6-3)11-13-25/h7-9,14-15H,4-6,10-13H2,1-3H3,(H,21,22,23)
InChIKeyMHSHSUSNSRWUOF-UHFFFAOYSA-N
XLogP3.49
TPSA44.29 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500339.49
LogP ≤ 53.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-(2,6-diethylphenyl)-6-pyrrolidin-1-ylpyrimidin-4-amine
CID 112855731
N-[2,6-di(propan-2-yl)phenyl]-6-(4-ethylpiperazin-1-yl)pyrimidin-4-amine
CID 112858173
6-(4-ethylpiperazin-1-yl)-N-(2-fluorophenyl)pyrimidin-4-amine
CID 112858117
6-(4-ethylpiperazin-1-yl)-N-(1-phenylethyl)pyrimidin-4-amine
CID 112858031
ethyl 4-[[6-(4-ethylpiperazin-1-yl)pyrimidin-4-yl]amino]benzoate
CID 112858175
N-(2-ethyl-6-methylphenyl)-2-(4-ethylpiperazin-1-yl)-6-methylpyrimidin-4-amine
CID 112914381
methyl 4-chloro-3-[[6-(4-ethylpiperazin-1-yl)pyrimidin-4-yl]amino]benzoate
CID 112858153
4-(4-ethylpiperazin-1-yl)-6-(4-pyridin-2-ylpiperazin-1-yl)pyrimidine
CID 112858073
1-ethyl-4-[6-(4-ethyl-1,4-diazepan-1-yl)pyrimidin-4-yl]-1,4-diazepane
CID 166231873
6-(4-ethylpiperazin-1-yl)-N-(3-methoxypropyl)pyrimidin-4-amine
CID 112856838
N-(2,6-diethylphenyl)-6-(4-methylpiperazin-1-yl)pyrimidine-4-carboxamide
CID 109345048
1-cyclopentyl-3-[6-(4-ethylpiperazin-1-yl)pyrimidin-4-yl]urea
CID 23652749

Frequently Asked Questions

What is the IUPAC name of N-(2,6-diethylphenyl)-6-(4-ethylpiperazin-1-yl)pyrimidin-4-amine?
The IUPAC name of N-(2,6-diethylphenyl)-6-(4-ethylpiperazin-1-yl)pyrimidin-4-amine (CID 112858113) is N-(2,6-diethylphenyl)-6-(4-ethylpiperazin-1-yl)pyrimidin-4-amine.
What is the SMILES notation for N-(2,6-diethylphenyl)-6-(4-ethylpiperazin-1-yl)pyrimidin-4-amine?
The canonical SMILES for N-(2,6-diethylphenyl)-6-(4-ethylpiperazin-1-yl)pyrimidin-4-amine is CCc1cccc(CC)c1Nc1cc(N2CCN(CC)CC2)ncn1.
What is the InChIKey of N-(2,6-diethylphenyl)-6-(4-ethylpiperazin-1-yl)pyrimidin-4-amine?
The InChIKey is MHSHSUSNSRWUOF-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H29N5/c1-4-16-8-7-9-17(5-2)20(16)23-18-14-19(22-15-21-18)25-12-10-24(6-3)11-13-25/h7-9,14-15H,4-6,10-13H2,1-3H3,(H,21,22,23).
What are the key properties of N-(2,6-diethylphenyl)-6-(4-ethylpiperazin-1-yl)pyrimidin-4-amine?
N-(2,6-diethylphenyl)-6-(4-ethylpiperazin-1-yl)pyrimidin-4-amine has a molecular weight of 339.49 g/mol, XLogP of 3.49, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,6-diethylphenyl)-6-(4-ethylpiperazin-1-yl)pyrimidin-4-amine is sourced from PubChem (CID 112858113), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).