2-(3,5-dimethoxyphenyl)-N,6-diethylpyrimidin-4-amine

C16H21N3O2 — CID 62202777

IUPAC2-(3,5-dimethoxyphenyl)-N,6-diethylpyrimidin-4-amine
SMILESCCNc1cc(CC)nc(-c2cc(OC)cc(OC)c2)n1
InChIInChI=1S/C16H21N3O2/c1-5-12-9-15(17-6-2)19-16(18-12)11-7-13(20-3)10-14(8-11)21-4/h7-10H,5-6H2,1-4H3,(H,17,18,19)
InChIKeySZPBJZRJAUDPHN-UHFFFAOYSA-N
MW287.36 g/mol
LogP3.15
Rot. Bonds6

About 2-(3,5-dimethoxyphenyl)-N,6-diethylpyrimidin-4-amine

2-(3,5-dimethoxyphenyl)-N,6-diethylpyrimidin-4-amine (PubChem CID 62202777) has the molecular formula C16H21N3O2 and a molecular weight of 287.36 g/mol. Its IUPAC name is 2-(3,5-dimethoxyphenyl)-N,6-diethylpyrimidin-4-amine.

Molecular Properties

Compound Name2-(3,5-dimethoxyphenyl)-N,6-diethylpyrimidin-4-amine
PubChem CID62202777
Molecular FormulaC16H21N3O2
Molecular Weight287.36 g/mol
Exact Mass287.16
IUPAC Name2-(3,5-dimethoxyphenyl)-N,6-diethylpyrimidin-4-amine
SMILESCCNc1cc(CC)nc(-c2cc(OC)cc(OC)c2)n1
InChIInChI=1S/C16H21N3O2/c1-5-12-9-15(17-6-2)19-16(18-12)11-7-13(20-3)10-14(8-11)21-4/h7-10H,5-6H2,1-4H3,(H,17,18,19)
InChIKeySZPBJZRJAUDPHN-UHFFFAOYSA-N
XLogP3.15
TPSA56.27 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.36
LogP ≤ 53.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-(3,5-dimethoxyphenyl)-N,6-diethylpyrimidin-4-amine?
The IUPAC name of 2-(3,5-dimethoxyphenyl)-N,6-diethylpyrimidin-4-amine (CID 62202777) is 2-(3,5-dimethoxyphenyl)-N,6-diethylpyrimidin-4-amine.
What is the SMILES notation for 2-(3,5-dimethoxyphenyl)-N,6-diethylpyrimidin-4-amine?
The canonical SMILES for 2-(3,5-dimethoxyphenyl)-N,6-diethylpyrimidin-4-amine is CCNc1cc(CC)nc(-c2cc(OC)cc(OC)c2)n1.
What is the InChIKey of 2-(3,5-dimethoxyphenyl)-N,6-diethylpyrimidin-4-amine?
The InChIKey is SZPBJZRJAUDPHN-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H21N3O2/c1-5-12-9-15(17-6-2)19-16(18-12)11-7-13(20-3)10-14(8-11)21-4/h7-10H,5-6H2,1-4H3,(H,17,18,19).
What are the key properties of 2-(3,5-dimethoxyphenyl)-N,6-diethylpyrimidin-4-amine?
2-(3,5-dimethoxyphenyl)-N,6-diethylpyrimidin-4-amine has a molecular weight of 287.36 g/mol, XLogP of 3.15, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3,5-dimethoxyphenyl)-N,6-diethylpyrimidin-4-amine is sourced from PubChem (CID 62202777), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).