1-[4-(5-ethyl-2-methoxyphenyl)pyrimidin-2-yl]cyclopropan-1-amine

C16H19N3O — CID 116903552

IUPAC1-[4-(5-ethyl-2-methoxyphenyl)pyrimidin-2-yl]cyclopropan-1-amine
SMILESCCc1ccc(OC)c(-c2ccnc(C3(N)CC3)n2)c1
InChIInChI=1S/C16H19N3O/c1-3-11-4-5-14(20-2)12(10-11)13-6-9-18-15(19-13)16(17)7-8-16/h4-6,9-10H,3,7-8,17H2,1-2H3
InChIKeyMRRBWYHQZJFBLW-UHFFFAOYSA-N
MW269.35 g/mol
LogP2.66
Rot. Bonds4

About 1-[4-(5-ethyl-2-methoxyphenyl)pyrimidin-2-yl]cyclopropan-1-amine

1-[4-(5-ethyl-2-methoxyphenyl)pyrimidin-2-yl]cyclopropan-1-amine (PubChem CID 116903552) has the molecular formula C16H19N3O and a molecular weight of 269.35 g/mol. Its IUPAC name is 1-[4-(5-ethyl-2-methoxyphenyl)pyrimidin-2-yl]cyclopropan-1-amine.

Molecular Properties

Compound Name1-[4-(5-ethyl-2-methoxyphenyl)pyrimidin-2-yl]cyclopropan-1-amine
PubChem CID116903552
Molecular FormulaC16H19N3O
Molecular Weight269.35 g/mol
Exact Mass269.15
IUPAC Name1-[4-(5-ethyl-2-methoxyphenyl)pyrimidin-2-yl]cyclopropan-1-amine
SMILESCCc1ccc(OC)c(-c2ccnc(C3(N)CC3)n2)c1
InChIInChI=1S/C16H19N3O/c1-3-11-4-5-14(20-2)12(10-11)13-6-9-18-15(19-13)16(17)7-8-16/h4-6,9-10H,3,7-8,17H2,1-2H3
InChIKeyMRRBWYHQZJFBLW-UHFFFAOYSA-N
XLogP2.66
TPSA61.03 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.35
LogP ≤ 52.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-bromo-4-(5-ethyl-2-methoxyphenyl)pyrimidine
CID 116904266
1-[4-[4-(2-methylpropyl)phenyl]pyrimidin-2-yl]cyclopropan-1-amine
CID 116903535
[1-[4-(2-methoxyphenyl)pyrimidin-2-yl]cyclobutyl]methanamine
CID 116902697
2-[4-(5-ethyl-2-methoxyphenyl)-1,3-thiazol-2-yl]acetaldehyde
CID 116968837
4-(5-ethyl-2-methoxyphenyl)-1,3-thiazole-2,5-diamine
CID 82480643
2-[4-(5-ethyl-2-methoxyphenyl)-2-methylimidazol-1-yl]ethanamine
CID 95466234
5-(5-ethyl-2-methoxyphenyl)-1H-pyrazole
CID 116869035
1-[4-(4-bromothiophen-2-yl)pyrimidin-2-yl]cyclopropan-1-amine
CID 116903564
1-[4-(3-methylphenyl)pyrimidin-2-yl]cyclopropan-1-amine
CID 116903584
2-(bromomethyl)-4-(5-ethyl-2-methoxyphenyl)-1,3-thiazole
CID 116970303
1-(3-ethyl-4-methoxyphenyl)cyclopropan-1-amine
CID 82281442
1-(4-pyridin-2-ylpyrimidin-2-yl)cyclopropan-1-amine
CID 116903588

Frequently Asked Questions

What is the IUPAC name of 1-[4-(5-ethyl-2-methoxyphenyl)pyrimidin-2-yl]cyclopropan-1-amine?
The IUPAC name of 1-[4-(5-ethyl-2-methoxyphenyl)pyrimidin-2-yl]cyclopropan-1-amine (CID 116903552) is 1-[4-(5-ethyl-2-methoxyphenyl)pyrimidin-2-yl]cyclopropan-1-amine.
What is the SMILES notation for 1-[4-(5-ethyl-2-methoxyphenyl)pyrimidin-2-yl]cyclopropan-1-amine?
The canonical SMILES for 1-[4-(5-ethyl-2-methoxyphenyl)pyrimidin-2-yl]cyclopropan-1-amine is CCc1ccc(OC)c(-c2ccnc(C3(N)CC3)n2)c1.
What is the InChIKey of 1-[4-(5-ethyl-2-methoxyphenyl)pyrimidin-2-yl]cyclopropan-1-amine?
The InChIKey is MRRBWYHQZJFBLW-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19N3O/c1-3-11-4-5-14(20-2)12(10-11)13-6-9-18-15(19-13)16(17)7-8-16/h4-6,9-10H,3,7-8,17H2,1-2H3.
What are the key properties of 1-[4-(5-ethyl-2-methoxyphenyl)pyrimidin-2-yl]cyclopropan-1-amine?
1-[4-(5-ethyl-2-methoxyphenyl)pyrimidin-2-yl]cyclopropan-1-amine has a molecular weight of 269.35 g/mol, XLogP of 2.66, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-(5-ethyl-2-methoxyphenyl)pyrimidin-2-yl]cyclopropan-1-amine is sourced from PubChem (CID 116903552), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).