4-N-(2,5-dimethoxyphenyl)-6-N-(3-methoxyphenyl)pyrimidine-4,6-diamine

C19H20N4O3 — CID 112866175

IUPAC4-N-(2,5-dimethoxyphenyl)-6-N-(3-methoxyphenyl)pyrimidine-4,6-diamine
SMILESCOc1cccc(Nc2cc(Nc3cc(OC)ccc3OC)ncn2)c1
InChIInChI=1S/C19H20N4O3/c1-24-14-6-4-5-13(9-14)22-18-11-19(21-12-20-18)23-16-10-15(25-2)7-8-17(16)26-3/h4-12H,1-3H3,(H2,20,21,22,23)
InChIKeyQIAHWAXXEKSCCE-UHFFFAOYSA-N
MW352.39 g/mol
LogP3.99
Rot. Bonds7

About 4-N-(2,5-dimethoxyphenyl)-6-N-(3-methoxyphenyl)pyrimidine-4,6-diamine

4-N-(2,5-dimethoxyphenyl)-6-N-(3-methoxyphenyl)pyrimidine-4,6-diamine (PubChem CID 112866175) has the molecular formula C19H20N4O3 and a molecular weight of 352.39 g/mol. Its IUPAC name is 4-N-(2,5-dimethoxyphenyl)-6-N-(3-methoxyphenyl)pyrimidine-4,6-diamine.

Molecular Properties

Compound Name4-N-(2,5-dimethoxyphenyl)-6-N-(3-methoxyphenyl)pyrimidine-4,6-diamine
PubChem CID112866175
Molecular FormulaC19H20N4O3
Molecular Weight352.39 g/mol
Exact Mass352.15
IUPAC Name4-N-(2,5-dimethoxyphenyl)-6-N-(3-methoxyphenyl)pyrimidine-4,6-diamine
SMILESCOc1cccc(Nc2cc(Nc3cc(OC)ccc3OC)ncn2)c1
InChIInChI=1S/C19H20N4O3/c1-24-14-6-4-5-13(9-14)22-18-11-19(21-12-20-18)23-16-10-15(25-2)7-8-17(16)26-3/h4-12H,1-3H3,(H2,20,21,22,23)
InChIKeyQIAHWAXXEKSCCE-UHFFFAOYSA-N
XLogP3.99
TPSA77.53 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500352.39
LogP ≤ 53.99
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 4-N-(2,5-dimethoxyphenyl)-6-N-(3-methoxyphenyl)pyrimidine-4,6-diamine?
The IUPAC name of 4-N-(2,5-dimethoxyphenyl)-6-N-(3-methoxyphenyl)pyrimidine-4,6-diamine (CID 112866175) is 4-N-(2,5-dimethoxyphenyl)-6-N-(3-methoxyphenyl)pyrimidine-4,6-diamine.
What is the SMILES notation for 4-N-(2,5-dimethoxyphenyl)-6-N-(3-methoxyphenyl)pyrimidine-4,6-diamine?
The canonical SMILES for 4-N-(2,5-dimethoxyphenyl)-6-N-(3-methoxyphenyl)pyrimidine-4,6-diamine is COc1cccc(Nc2cc(Nc3cc(OC)ccc3OC)ncn2)c1.
What is the InChIKey of 4-N-(2,5-dimethoxyphenyl)-6-N-(3-methoxyphenyl)pyrimidine-4,6-diamine?
The InChIKey is QIAHWAXXEKSCCE-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H20N4O3/c1-24-14-6-4-5-13(9-14)22-18-11-19(21-12-20-18)23-16-10-15(25-2)7-8-17(16)26-3/h4-12H,1-3H3,(H2,20,21,22,23).
What are the key properties of 4-N-(2,5-dimethoxyphenyl)-6-N-(3-methoxyphenyl)pyrimidine-4,6-diamine?
4-N-(2,5-dimethoxyphenyl)-6-N-(3-methoxyphenyl)pyrimidine-4,6-diamine has a molecular weight of 352.39 g/mol, XLogP of 3.99, 7 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 4-N-(2,5-dimethoxyphenyl)-6-N-(3-methoxyphenyl)pyrimidine-4,6-diamine is sourced from PubChem (CID 112866175), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).