N-[(3,4-dimethoxyphenyl)methyl]-6-(2-ethylpiperidin-1-yl)pyrimidin-4-amine

C20H28N4O2 — CID 112862577

IUPACN-[(3,4-dimethoxyphenyl)methyl]-6-(2-ethylpiperidin-1-yl)pyrimidin-4-amine
SMILESCCC1CCCCN1c1cc(NCc2ccc(OC)c(OC)c2)ncn1
InChIInChI=1S/C20H28N4O2/c1-4-16-7-5-6-10-24(16)20-12-19(22-14-23-20)21-13-15-8-9-17(25-2)18(11-15)26-3/h8-9,11-12,14,16H,4-7,10,13H2,1-3H3,(H,21,22,23)
InChIKeySACAVOSOACUEEK-UHFFFAOYSA-N
MW356.47 g/mol
LogP3.87
Rot. Bonds7

About N-[(3,4-dimethoxyphenyl)methyl]-6-(2-ethylpiperidin-1-yl)pyrimidin-4-amine

N-[(3,4-dimethoxyphenyl)methyl]-6-(2-ethylpiperidin-1-yl)pyrimidin-4-amine (PubChem CID 112862577) has the molecular formula C20H28N4O2 and a molecular weight of 356.47 g/mol. Its IUPAC name is N-[(3,4-dimethoxyphenyl)methyl]-6-(2-ethylpiperidin-1-yl)pyrimidin-4-amine.

Molecular Properties

Compound NameN-[(3,4-dimethoxyphenyl)methyl]-6-(2-ethylpiperidin-1-yl)pyrimidin-4-amine
PubChem CID112862577
Molecular FormulaC20H28N4O2
Molecular Weight356.47 g/mol
Exact Mass356.22
IUPAC NameN-[(3,4-dimethoxyphenyl)methyl]-6-(2-ethylpiperidin-1-yl)pyrimidin-4-amine
SMILESCCC1CCCCN1c1cc(NCc2ccc(OC)c(OC)c2)ncn1
InChIInChI=1S/C20H28N4O2/c1-4-16-7-5-6-10-24(16)20-12-19(22-14-23-20)21-13-15-8-9-17(25-2)18(11-15)26-3/h8-9,11-12,14,16H,4-7,10,13H2,1-3H3,(H,21,22,23)
InChIKeySACAVOSOACUEEK-UHFFFAOYSA-N
XLogP3.87
TPSA59.51 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500356.47
LogP ≤ 53.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

6-[(2S)-2-[[(3,4-dimethoxyphenyl)methylamino]methyl]pyrrolidin-1-yl]-N-methylpyrimidin-4-amine
CID 124554031
N-[(3,4-dimethoxyphenyl)methyl]-2-(2-ethylpiperidin-1-yl)pyridine-4-carboxamide
CID 109173883
N-ethyl-6-(2-ethylpyrrolidin-1-yl)pyrimidin-4-amine
CID 80798245
6-[(2S)-2-ethylpiperidin-1-yl]-N-methylpyrimidin-4-amine
CID 129372140
6-(2-ethylazepan-1-yl)-N-methylpyrimidin-4-amine
CID 104693081
N-cyclohexyl-6-(2-ethylpiperidin-1-yl)pyrimidin-4-amine
CID 112856254
N-[6-(2-ethylpiperidin-1-yl)pyrimidin-4-yl]-N',N'-dimethylethane-1,2-diamine
CID 112857436
[(2S)-1-[6-[(2-methoxy-4-pyridinyl)methylamino]pyrimidin-4-yl]pyrrolidin-2-yl]methanol
CID 95763890
[(2S)-1-[6-[(6-methoxy-3-pyridinyl)methylamino]pyrimidin-4-yl]pyrrolidin-2-yl]methanol
CID 95763878
N-[[4-(2-ethylpiperidin-1-yl)-3-methoxyphenyl]methyl]ethanamine
CID 84754215
4-N-[(3,4-dimethoxyphenyl)methyl]-6-N-[(4-methylphenyl)methyl]pyrimidine-4,6-diamine
CID 112859178
N-[(3,4-dimethoxyphenyl)methyl]-6-propylpyrimidin-4-amine
CID 61240335

Frequently Asked Questions

What is the IUPAC name of N-[(3,4-dimethoxyphenyl)methyl]-6-(2-ethylpiperidin-1-yl)pyrimidin-4-amine?
The IUPAC name of N-[(3,4-dimethoxyphenyl)methyl]-6-(2-ethylpiperidin-1-yl)pyrimidin-4-amine (CID 112862577) is N-[(3,4-dimethoxyphenyl)methyl]-6-(2-ethylpiperidin-1-yl)pyrimidin-4-amine.
What is the SMILES notation for N-[(3,4-dimethoxyphenyl)methyl]-6-(2-ethylpiperidin-1-yl)pyrimidin-4-amine?
The canonical SMILES for N-[(3,4-dimethoxyphenyl)methyl]-6-(2-ethylpiperidin-1-yl)pyrimidin-4-amine is CCC1CCCCN1c1cc(NCc2ccc(OC)c(OC)c2)ncn1.
What is the InChIKey of N-[(3,4-dimethoxyphenyl)methyl]-6-(2-ethylpiperidin-1-yl)pyrimidin-4-amine?
The InChIKey is SACAVOSOACUEEK-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H28N4O2/c1-4-16-7-5-6-10-24(16)20-12-19(22-14-23-20)21-13-15-8-9-17(25-2)18(11-15)26-3/h8-9,11-12,14,16H,4-7,10,13H2,1-3H3,(H,21,22,23).
What are the key properties of N-[(3,4-dimethoxyphenyl)methyl]-6-(2-ethylpiperidin-1-yl)pyrimidin-4-amine?
N-[(3,4-dimethoxyphenyl)methyl]-6-(2-ethylpiperidin-1-yl)pyrimidin-4-amine has a molecular weight of 356.47 g/mol, XLogP of 3.87, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3,4-dimethoxyphenyl)methyl]-6-(2-ethylpiperidin-1-yl)pyrimidin-4-amine is sourced from PubChem (CID 112862577), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).