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

C21H30N4O3 — CID 112925932

IUPAC4-(2-ethylpiperidin-1-yl)-6-methyl-N-(3,4,5-trimethoxyphenyl)pyrimidin-2-amine
SMILESCCC1CCCCN1c1cc(C)nc(Nc2cc(OC)c(OC)c(OC)c2)n1
InChIInChI=1S/C21H30N4O3/c1-6-16-9-7-8-10-25(16)19-11-14(2)22-21(24-19)23-15-12-17(26-3)20(28-5)18(13-15)27-4/h11-13,16H,6-10H2,1-5H3,(H,22,23,24)
InChIKeyIRTJNTVDVKGLDI-UHFFFAOYSA-N
MW386.50 g/mol
LogP4.32
Rot. Bonds7

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

4-(2-ethylpiperidin-1-yl)-6-methyl-N-(3,4,5-trimethoxyphenyl)pyrimidin-2-amine (PubChem CID 112925932) has the molecular formula C21H30N4O3 and a molecular weight of 386.50 g/mol. Its IUPAC name is 4-(2-ethylpiperidin-1-yl)-6-methyl-N-(3,4,5-trimethoxyphenyl)pyrimidin-2-amine.

Molecular Properties

Compound Name4-(2-ethylpiperidin-1-yl)-6-methyl-N-(3,4,5-trimethoxyphenyl)pyrimidin-2-amine
PubChem CID112925932
Molecular FormulaC21H30N4O3
Molecular Weight386.50 g/mol
Exact Mass386.23
IUPAC Name4-(2-ethylpiperidin-1-yl)-6-methyl-N-(3,4,5-trimethoxyphenyl)pyrimidin-2-amine
SMILESCCC1CCCCN1c1cc(C)nc(Nc2cc(OC)c(OC)c(OC)c2)n1
InChIInChI=1S/C21H30N4O3/c1-6-16-9-7-8-10-25(16)19-11-14(2)22-21(24-19)23-15-12-17(26-3)20(28-5)18(13-15)27-4/h11-13,16H,6-10H2,1-5H3,(H,22,23,24)
InChIKeyIRTJNTVDVKGLDI-UHFFFAOYSA-N
XLogP4.32
TPSA68.74 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500386.50
LogP ≤ 54.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

N-(3,5-dichlorophenyl)-4-(2-ethylpiperidin-1-yl)-6-methylpyrimidin-2-amine
CID 112925937
4-(2-ethylpiperidin-1-yl)-6-methyl-N-(4-propan-2-yloxyphenyl)pyrimidin-2-amine
CID 112925899
4-(2-ethylazepan-1-yl)-N,6-dimethylpyrimidin-2-amine
CID 113442061
N-(3,4-dimethoxyphenyl)-5-(2-ethylpiperidin-1-yl)-1,2,4-triazin-3-amine
CID 112960419
N-(2,6-difluorophenyl)-4-(2-ethylpiperidin-1-yl)-6-methylpyrimidin-2-amine
CID 112925948
N-ethyl-4-(2-ethylpyrrolidin-1-yl)-6-methylpyrimidin-2-amine
CID 80798660
N-(3,5-dimethylphenyl)-5-(2-ethylpiperidin-1-yl)-1,2,4-triazin-3-amine
CID 112960380
6-(2-ethylpiperidin-1-yl)-N-(4-methoxyphenyl)-2-methylpyrimidin-4-amine
CID 112876488
4,6-bis(2-ethylpiperidin-1-yl)-2-methylpyrimidine
CID 112876455
5-(2-ethylpiperidin-1-yl)-N-(2-methoxy-5-methylphenyl)-1,2,4-triazin-3-amine
CID 112960414
N-(3,5-dimethylphenyl)-6-(2-ethylpiperidin-1-yl)-2-methylpyrimidin-4-amine
CID 112876471
1-[4-(2-ethylpiperidin-1-yl)-6-methylpyrimidin-2-yl]azepane
CID 112925859

Frequently Asked Questions

What is the IUPAC name of 4-(2-ethylpiperidin-1-yl)-6-methyl-N-(3,4,5-trimethoxyphenyl)pyrimidin-2-amine?
The IUPAC name of 4-(2-ethylpiperidin-1-yl)-6-methyl-N-(3,4,5-trimethoxyphenyl)pyrimidin-2-amine (CID 112925932) is 4-(2-ethylpiperidin-1-yl)-6-methyl-N-(3,4,5-trimethoxyphenyl)pyrimidin-2-amine.
What is the SMILES notation for 4-(2-ethylpiperidin-1-yl)-6-methyl-N-(3,4,5-trimethoxyphenyl)pyrimidin-2-amine?
The canonical SMILES for 4-(2-ethylpiperidin-1-yl)-6-methyl-N-(3,4,5-trimethoxyphenyl)pyrimidin-2-amine is CCC1CCCCN1c1cc(C)nc(Nc2cc(OC)c(OC)c(OC)c2)n1.
What is the InChIKey of 4-(2-ethylpiperidin-1-yl)-6-methyl-N-(3,4,5-trimethoxyphenyl)pyrimidin-2-amine?
The InChIKey is IRTJNTVDVKGLDI-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H30N4O3/c1-6-16-9-7-8-10-25(16)19-11-14(2)22-21(24-19)23-15-12-17(26-3)20(28-5)18(13-15)27-4/h11-13,16H,6-10H2,1-5H3,(H,22,23,24).
What are the key properties of 4-(2-ethylpiperidin-1-yl)-6-methyl-N-(3,4,5-trimethoxyphenyl)pyrimidin-2-amine?
4-(2-ethylpiperidin-1-yl)-6-methyl-N-(3,4,5-trimethoxyphenyl)pyrimidin-2-amine has a molecular weight of 386.50 g/mol, XLogP of 4.32, 7 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2-ethylpiperidin-1-yl)-6-methyl-N-(3,4,5-trimethoxyphenyl)pyrimidin-2-amine is sourced from PubChem (CID 112925932), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).