4,5-bis(4-methoxyphenyl)pyrimidin-2-amine

C18H17N3O2 — CID 3809552

IUPAC4,5-bis(4-methoxyphenyl)pyrimidin-2-amine
SMILESCOc1ccc(-c2cnc(N)nc2-c2ccc(OC)cc2)cc1
InChIInChI=1S/C18H17N3O2/c1-22-14-7-3-12(4-8-14)16-11-20-18(19)21-17(16)13-5-9-15(23-2)10-6-13/h3-11H,1-2H3,(H2,19,20,21)
InChIKeyOJRQTTSLEOJRQQ-UHFFFAOYSA-N
MW307.35 g/mol
LogP3.41
Rot. Bonds4

About 4,5-bis(4-methoxyphenyl)pyrimidin-2-amine

4,5-bis(4-methoxyphenyl)pyrimidin-2-amine (PubChem CID 3809552) has the molecular formula C18H17N3O2 and a molecular weight of 307.35 g/mol. Its IUPAC name is 4,5-bis(4-methoxyphenyl)pyrimidin-2-amine.

Molecular Properties

Compound Name4,5-bis(4-methoxyphenyl)pyrimidin-2-amine
PubChem CID3809552
Molecular FormulaC18H17N3O2
Molecular Weight307.35 g/mol
Exact Mass307.13
IUPAC Name4,5-bis(4-methoxyphenyl)pyrimidin-2-amine
SMILESCOc1ccc(-c2cnc(N)nc2-c2ccc(OC)cc2)cc1
InChIInChI=1S/C18H17N3O2/c1-22-14-7-3-12(4-8-14)16-11-20-18(19)21-17(16)13-5-9-15(23-2)10-6-13/h3-11H,1-2H3,(H2,19,20,21)
InChIKeyOJRQTTSLEOJRQQ-UHFFFAOYSA-N
XLogP3.41
TPSA70.26 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500307.35
LogP ≤ 53.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 4,5-bis(4-methoxyphenyl)pyrimidin-2-amine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

Diaveridine
CID 21453
Thonzylamine
CID 5457
Thonzonium
CID 5456
Thonzylamine Hydrochloride
CID 6136
Zotiraciclib
CID 16739650
7-Methoxyquinazoline
CID 12213273
2,4-Pyrimidinediamine, 5-((3-methoxyphenyl)methyl)-
CID 101067
6-Ethyl-5-{3-[2-Methoxy-5-(Pyridin-4-Yl)phenyl]prop-1-Yn-1-Yl}pyrimidine-2,4-Diamine
CID 57149549
6-Ethyl-5-{3-[3-Methoxy-5-(Pyridin-4-Yl)phenyl]prop-1-Yn-1-Yl}pyrimidine-2,4-Diamine
CID 57149550
6-Ethyl-5-(4-methoxyphenyl)pyrimidine-2,4-diamine
CID 13926986
2,4-Pyrimidinediamine, 5-((4-methoxyphenyl)methyl)-
CID 88462
2,4-Pyrimidinediamine, 5-((3-methoxy-4-(phenylmethoxy)phenyl)methyl)-
CID 463124

Frequently Asked Questions

What is the IUPAC name of 4,5-bis(4-methoxyphenyl)pyrimidin-2-amine?
The IUPAC name of 4,5-bis(4-methoxyphenyl)pyrimidin-2-amine (CID 3809552) is 4,5-bis(4-methoxyphenyl)pyrimidin-2-amine.
What is the SMILES notation for 4,5-bis(4-methoxyphenyl)pyrimidin-2-amine?
The canonical SMILES for 4,5-bis(4-methoxyphenyl)pyrimidin-2-amine is COc1ccc(-c2cnc(N)nc2-c2ccc(OC)cc2)cc1.
What is the InChIKey of 4,5-bis(4-methoxyphenyl)pyrimidin-2-amine?
The InChIKey is OJRQTTSLEOJRQQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H17N3O2/c1-22-14-7-3-12(4-8-14)16-11-20-18(19)21-17(16)13-5-9-15(23-2)10-6-13/h3-11H,1-2H3,(H2,19,20,21).
What are the key properties of 4,5-bis(4-methoxyphenyl)pyrimidin-2-amine?
4,5-bis(4-methoxyphenyl)pyrimidin-2-amine has a molecular weight of 307.35 g/mol, XLogP of 3.41, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4,5-bis(4-methoxyphenyl)pyrimidin-2-amine is sourced from PubChem (CID 3809552), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).