4,6-bis(2,5-dimethoxyphenyl)pyrimidin-2-amine

C20H21N3O4 — CID 75359779

IUPAC4,6-bis(2,5-dimethoxyphenyl)pyrimidin-2-amine
SMILESCOc1ccc(OC)c(-c2cc(-c3cc(OC)ccc3OC)nc(N)n2)c1
InChIInChI=1S/C20H21N3O4/c1-24-12-5-7-18(26-3)14(9-12)16-11-17(23-20(21)22-16)15-10-13(25-2)6-8-19(15)27-4/h5-11H,1-4H3,(H2,21,22,23)
InChIKeyQQCWTSQCJMNGCH-UHFFFAOYSA-N
MW367.41 g/mol
LogP3.43
Rot. Bonds6

About 4,6-bis(2,5-dimethoxyphenyl)pyrimidin-2-amine

4,6-bis(2,5-dimethoxyphenyl)pyrimidin-2-amine (PubChem CID 75359779) has the molecular formula C20H21N3O4 and a molecular weight of 367.41 g/mol. Its IUPAC name is 4,6-bis(2,5-dimethoxyphenyl)pyrimidin-2-amine.

Molecular Properties

Compound Name4,6-bis(2,5-dimethoxyphenyl)pyrimidin-2-amine
PubChem CID75359779
Molecular FormulaC20H21N3O4
Molecular Weight367.41 g/mol
Exact Mass367.15
IUPAC Name4,6-bis(2,5-dimethoxyphenyl)pyrimidin-2-amine
SMILESCOc1ccc(OC)c(-c2cc(-c3cc(OC)ccc3OC)nc(N)n2)c1
InChIInChI=1S/C20H21N3O4/c1-24-12-5-7-18(26-3)14(9-12)16-11-17(23-20(21)22-16)15-10-13(25-2)6-8-19(15)27-4/h5-11H,1-4H3,(H2,21,22,23)
InChIKeyQQCWTSQCJMNGCH-UHFFFAOYSA-N
XLogP3.43
TPSA88.72 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500367.41
LogP ≤ 53.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

4-(2,5-dimethoxyphenyl)-6-(furan-2-yl)pyrimidin-2-amine
CID 75359770
4-(2,5-dimethoxyphenyl)-6-thiophen-2-ylpyrimidin-2-amine
CID 75359777
4-(2,5-dimethoxyphenyl)-1,3-thiazol-2-amine
CID 675262
4-(2,4-dimethoxyphenyl)-6-(3-methylphenyl)pyrimidin-2-amine
CID 75359700
4-(2-methoxy-5-methylphenyl)-6-methylpyrimidin-2-amine
CID 62482749
2-[4-(2,5-dimethoxyphenyl)-6-methylpyrimidin-2-yl]ethanamine
CID 95475597
4-methoxy-6-(2-methoxy-5-methylphenyl)pyrimidin-2-amine
CID 114052966
2-amino-4-(4-cyanophenyl)-6-(2,5-dimethoxyphenyl)pyridine-3-carbonitrile
CID 3554219
2-[4-(2,5-dimethoxyphenyl)phenyl]-1,4-dimethoxybenzene
CID 172792841
2-chloro-4-(2,5-dimethoxyphenyl)pyrimidine
CID 24902001
2-(2,5-dimethoxyphenyl)pyrimidin-4-amine
CID 62204234
4-(2,4-dimethoxyphenyl)pyrimidin-2-amine
CID 39733899

Frequently Asked Questions

What is the IUPAC name of 4,6-bis(2,5-dimethoxyphenyl)pyrimidin-2-amine?
The IUPAC name of 4,6-bis(2,5-dimethoxyphenyl)pyrimidin-2-amine (CID 75359779) is 4,6-bis(2,5-dimethoxyphenyl)pyrimidin-2-amine.
What is the SMILES notation for 4,6-bis(2,5-dimethoxyphenyl)pyrimidin-2-amine?
The canonical SMILES for 4,6-bis(2,5-dimethoxyphenyl)pyrimidin-2-amine is COc1ccc(OC)c(-c2cc(-c3cc(OC)ccc3OC)nc(N)n2)c1.
What is the InChIKey of 4,6-bis(2,5-dimethoxyphenyl)pyrimidin-2-amine?
The InChIKey is QQCWTSQCJMNGCH-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H21N3O4/c1-24-12-5-7-18(26-3)14(9-12)16-11-17(23-20(21)22-16)15-10-13(25-2)6-8-19(15)27-4/h5-11H,1-4H3,(H2,21,22,23).
What are the key properties of 4,6-bis(2,5-dimethoxyphenyl)pyrimidin-2-amine?
4,6-bis(2,5-dimethoxyphenyl)pyrimidin-2-amine has a molecular weight of 367.41 g/mol, XLogP of 3.43, 6 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 4,6-bis(2,5-dimethoxyphenyl)pyrimidin-2-amine is sourced from PubChem (CID 75359779), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).