N-(1,3-benzodioxol-5-yl)-6-(2-ethylpiperidin-1-yl)pyrimidin-4-amine

C18H22N4O2 — CID 112864365

IUPACN-(1,3-benzodioxol-5-yl)-6-(2-ethylpiperidin-1-yl)pyrimidin-4-amine
SMILESCCC1CCCCN1c1cc(Nc2ccc3c(c2)OCO3)ncn1
InChIInChI=1S/C18H22N4O2/c1-2-14-5-3-4-8-22(14)18-10-17(19-11-20-18)21-13-6-7-15-16(9-13)24-12-23-15/h6-7,9-11,14H,2-5,8,12H2,1H3,(H,19,20,21)
InChIKeyLLMMVFCXYZPFLA-UHFFFAOYSA-N
MW326.40 g/mol
LogP3.72
Rot. Bonds4

About N-(1,3-benzodioxol-5-yl)-6-(2-ethylpiperidin-1-yl)pyrimidin-4-amine

N-(1,3-benzodioxol-5-yl)-6-(2-ethylpiperidin-1-yl)pyrimidin-4-amine (PubChem CID 112864365) has the molecular formula C18H22N4O2 and a molecular weight of 326.40 g/mol. Its IUPAC name is N-(1,3-benzodioxol-5-yl)-6-(2-ethylpiperidin-1-yl)pyrimidin-4-amine.

Molecular Properties

Compound NameN-(1,3-benzodioxol-5-yl)-6-(2-ethylpiperidin-1-yl)pyrimidin-4-amine
PubChem CID112864365
Molecular FormulaC18H22N4O2
Molecular Weight326.40 g/mol
Exact Mass326.17
IUPAC NameN-(1,3-benzodioxol-5-yl)-6-(2-ethylpiperidin-1-yl)pyrimidin-4-amine
SMILESCCC1CCCCN1c1cc(Nc2ccc3c(c2)OCO3)ncn1
InChIInChI=1S/C18H22N4O2/c1-2-14-5-3-4-8-22(14)18-10-17(19-11-20-18)21-13-6-7-15-16(9-13)24-12-23-15/h6-7,9-11,14H,2-5,8,12H2,1H3,(H,19,20,21)
InChIKeyLLMMVFCXYZPFLA-UHFFFAOYSA-N
XLogP3.72
TPSA59.51 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.40
LogP ≤ 53.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

N-(3-chloro-4-fluorophenyl)-6-(2-ethylpiperidin-1-yl)pyrimidin-4-amine
CID 112864331
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
1-[6-(1,3-benzodioxol-5-ylamino)pyrimidin-4-yl]piperidine-4-carboxylic acid
CID 113192820
N-(2,3-dihydro-1,4-benzodioxin-6-yl)-6-(2-ethylpiperidin-1-yl)-5-nitropyrimidin-4-amine
CID 23492445
N-[6-(2-ethylpiperidin-1-yl)pyrimidin-4-yl]-N',N'-dimethylethane-1,2-diamine
CID 112857436
N-ethyl-6-(2-ethylpyrrolidin-1-yl)pyrimidin-4-amine
CID 80798245
N-(1,3-benzodioxol-5-yl)-2-(2-ethylpiperidin-1-yl)pyrimidine-5-carboxamide
CID 109264292
N-[6-(2-ethylpiperidin-1-yl)pyridazin-3-yl]-1,3-benzodioxole-5-carboxamide
CID 113044943
N-(1,3-benzodioxol-5-yl)-6-(4-pyridin-2-ylpiperazin-1-yl)pyrimidin-4-amine
CID 112863347
N-(3,4-dimethylphenyl)-6-(2-ethylpiperidin-1-yl)-2-methylpyrimidin-4-amine
CID 112876470

Frequently Asked Questions

What is the IUPAC name of N-(1,3-benzodioxol-5-yl)-6-(2-ethylpiperidin-1-yl)pyrimidin-4-amine?
The IUPAC name of N-(1,3-benzodioxol-5-yl)-6-(2-ethylpiperidin-1-yl)pyrimidin-4-amine (CID 112864365) is N-(1,3-benzodioxol-5-yl)-6-(2-ethylpiperidin-1-yl)pyrimidin-4-amine.
What is the SMILES notation for N-(1,3-benzodioxol-5-yl)-6-(2-ethylpiperidin-1-yl)pyrimidin-4-amine?
The canonical SMILES for N-(1,3-benzodioxol-5-yl)-6-(2-ethylpiperidin-1-yl)pyrimidin-4-amine is CCC1CCCCN1c1cc(Nc2ccc3c(c2)OCO3)ncn1.
What is the InChIKey of N-(1,3-benzodioxol-5-yl)-6-(2-ethylpiperidin-1-yl)pyrimidin-4-amine?
The InChIKey is LLMMVFCXYZPFLA-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H22N4O2/c1-2-14-5-3-4-8-22(14)18-10-17(19-11-20-18)21-13-6-7-15-16(9-13)24-12-23-15/h6-7,9-11,14H,2-5,8,12H2,1H3,(H,19,20,21).
What are the key properties of N-(1,3-benzodioxol-5-yl)-6-(2-ethylpiperidin-1-yl)pyrimidin-4-amine?
N-(1,3-benzodioxol-5-yl)-6-(2-ethylpiperidin-1-yl)pyrimidin-4-amine has a molecular weight of 326.40 g/mol, XLogP of 3.72, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1,3-benzodioxol-5-yl)-6-(2-ethylpiperidin-1-yl)pyrimidin-4-amine is sourced from PubChem (CID 112864365), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).