2-cyclopropyl-N-ethyl-6-(4-methoxyphenoxy)pyrimidin-4-amine

C16H19N3O2 — CID 80965737

IUPAC2-cyclopropyl-N-ethyl-6-(4-methoxyphenoxy)pyrimidin-4-amine
SMILESCCNc1cc(Oc2ccc(OC)cc2)nc(C2CC2)n1
InChIInChI=1S/C16H19N3O2/c1-3-17-14-10-15(19-16(18-14)11-4-5-11)21-13-8-6-12(20-2)7-9-13/h6-11H,3-5H2,1-2H3,(H,17,18,19)
InChIKeyQYEYBBDEFMCOAG-UHFFFAOYSA-N
MW285.35 g/mol
LogP3.59
Rot. Bonds6

About 2-cyclopropyl-N-ethyl-6-(4-methoxyphenoxy)pyrimidin-4-amine

2-cyclopropyl-N-ethyl-6-(4-methoxyphenoxy)pyrimidin-4-amine (PubChem CID 80965737) has the molecular formula C16H19N3O2 and a molecular weight of 285.35 g/mol. Its IUPAC name is 2-cyclopropyl-N-ethyl-6-(4-methoxyphenoxy)pyrimidin-4-amine.

Molecular Properties

Compound Name2-cyclopropyl-N-ethyl-6-(4-methoxyphenoxy)pyrimidin-4-amine
PubChem CID80965737
Molecular FormulaC16H19N3O2
Molecular Weight285.35 g/mol
Exact Mass285.15
IUPAC Name2-cyclopropyl-N-ethyl-6-(4-methoxyphenoxy)pyrimidin-4-amine
SMILESCCNc1cc(Oc2ccc(OC)cc2)nc(C2CC2)n1
InChIInChI=1S/C16H19N3O2/c1-3-17-14-10-15(19-16(18-14)11-4-5-11)21-13-8-6-12(20-2)7-9-13/h6-11H,3-5H2,1-2H3,(H,17,18,19)
InChIKeyQYEYBBDEFMCOAG-UHFFFAOYSA-N
XLogP3.59
TPSA56.27 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.35
LogP ≤ 53.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2-cyclopropyl-6-(3,5-dichlorophenoxy)-N-ethylpyrimidin-4-amine
CID 80965855
6-(3-bromophenoxy)-2-cyclopropyl-N-ethylpyrimidin-4-amine
CID 80965597
2-cyclopropyl-6-N-ethyl-4-N-(4-methoxyphenyl)pyrimidine-4,6-diamine
CID 80957134
6-(4-chlorophenoxy)-2-cyclopropyl-N-propylpyrimidin-4-amine
CID 80966029
[3-[2-cyclopropyl-6-(ethylamino)pyrimidin-4-yl]oxyphenyl]methanol
CID 80966723
6-(2-chlorophenoxy)-2-cyclopropyl-N-ethylpyrimidin-4-amine
CID 80965500
4-chloro-2-cyclopropyl-6-(4-methoxyphenoxy)pyrimidine
CID 80948365
2-cyclopropyl-N-ethyl-6-(5-fluoro-2-methylphenoxy)pyrimidin-4-amine
CID 102988946
6-(2-chloro-5-methylphenoxy)-2-cyclopropyl-N-ethylpyrimidin-4-amine
CID 80965650
N-ethyl-6-(4-methoxyphenoxy)pyrimidin-4-amine
CID 80870346
6-(3-chloro-2-fluorophenoxy)-2-cyclopropyl-N-ethylpyrimidin-4-amine
CID 116691214
6-(4-bromophenoxy)-2-cyclopropyl-N-methylpyrimidin-4-amine
CID 80965887

Frequently Asked Questions

What is the IUPAC name of 2-cyclopropyl-N-ethyl-6-(4-methoxyphenoxy)pyrimidin-4-amine?
The IUPAC name of 2-cyclopropyl-N-ethyl-6-(4-methoxyphenoxy)pyrimidin-4-amine (CID 80965737) is 2-cyclopropyl-N-ethyl-6-(4-methoxyphenoxy)pyrimidin-4-amine.
What is the SMILES notation for 2-cyclopropyl-N-ethyl-6-(4-methoxyphenoxy)pyrimidin-4-amine?
The canonical SMILES for 2-cyclopropyl-N-ethyl-6-(4-methoxyphenoxy)pyrimidin-4-amine is CCNc1cc(Oc2ccc(OC)cc2)nc(C2CC2)n1.
What is the InChIKey of 2-cyclopropyl-N-ethyl-6-(4-methoxyphenoxy)pyrimidin-4-amine?
The InChIKey is QYEYBBDEFMCOAG-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19N3O2/c1-3-17-14-10-15(19-16(18-14)11-4-5-11)21-13-8-6-12(20-2)7-9-13/h6-11H,3-5H2,1-2H3,(H,17,18,19).
What are the key properties of 2-cyclopropyl-N-ethyl-6-(4-methoxyphenoxy)pyrimidin-4-amine?
2-cyclopropyl-N-ethyl-6-(4-methoxyphenoxy)pyrimidin-4-amine has a molecular weight of 285.35 g/mol, XLogP of 3.59, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyclopropyl-N-ethyl-6-(4-methoxyphenoxy)pyrimidin-4-amine is sourced from PubChem (CID 80965737), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).