4-N-(3,4-difluorophenyl)-6-N-(3,4-dimethoxyphenyl)pyrimidine-4,6-diamine

C18H16F2N4O2 — CID 112866560

IUPAC4-N-(3,4-difluorophenyl)-6-N-(3,4-dimethoxyphenyl)pyrimidine-4,6-diamine
SMILESCOc1ccc(Nc2cc(Nc3ccc(F)c(F)c3)ncn2)cc1OC
InChIInChI=1S/C18H16F2N4O2/c1-25-15-6-4-12(8-16(15)26-2)24-18-9-17(21-10-22-18)23-11-3-5-13(19)14(20)7-11/h3-10H,1-2H3,(H2,21,22,23,24)
InChIKeyHAZGQNNGQXRINC-UHFFFAOYSA-N
MW358.35 g/mol
LogP4.26
Rot. Bonds6

About 4-N-(3,4-difluorophenyl)-6-N-(3,4-dimethoxyphenyl)pyrimidine-4,6-diamine

4-N-(3,4-difluorophenyl)-6-N-(3,4-dimethoxyphenyl)pyrimidine-4,6-diamine (PubChem CID 112866560) has the molecular formula C18H16F2N4O2 and a molecular weight of 358.35 g/mol. Its IUPAC name is 4-N-(3,4-difluorophenyl)-6-N-(3,4-dimethoxyphenyl)pyrimidine-4,6-diamine.

Molecular Properties

Compound Name4-N-(3,4-difluorophenyl)-6-N-(3,4-dimethoxyphenyl)pyrimidine-4,6-diamine
PubChem CID112866560
Molecular FormulaC18H16F2N4O2
Molecular Weight358.35 g/mol
Exact Mass358.12
IUPAC Name4-N-(3,4-difluorophenyl)-6-N-(3,4-dimethoxyphenyl)pyrimidine-4,6-diamine
SMILESCOc1ccc(Nc2cc(Nc3ccc(F)c(F)c3)ncn2)cc1OC
InChIInChI=1S/C18H16F2N4O2/c1-25-15-6-4-12(8-16(15)26-2)24-18-9-17(21-10-22-18)23-11-3-5-13(19)14(20)7-11/h3-10H,1-2H3,(H2,21,22,23,24)
InChIKeyHAZGQNNGQXRINC-UHFFFAOYSA-N
XLogP4.26
TPSA68.30 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500358.35
LogP ≤ 54.26
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

6-N-(3,4-difluorophenyl)-4-N-(3,4,5-trimethoxyphenyl)pyrimidine-4,6-diamine
CID 112867113
6-N-(3,4-dimethoxyphenyl)-4-N-(2,3,4-trifluorophenyl)pyrimidine-4,6-diamine
CID 112866558
4-N-(2,6-difluorophenyl)-6-N-(3,4-dimethoxyphenyl)pyrimidine-4,6-diamine
CID 112866559
4-N-(3,4-dimethoxyphenyl)-6-N-methylpyrimidine-4,6-diamine
CID 80759827
4-N-(3-fluoro-4-methoxyphenyl)pyrimidine-4,6-diamine
CID 80779473
4-N-(2,5-dimethoxyphenyl)-6-N-(3,4-dimethoxyphenyl)pyrimidine-4,6-diamine
CID 112866453
N-(3,4-difluorophenyl)-2-(3,4-dimethoxyanilino)pyridine-4-carboxamide
CID 109178406
N-(3,4-difluorophenyl)-6-hydrazinylpyrimidin-4-amine
CID 80927394
4-N-(3-chloro-4-fluorophenyl)-6-N-[(3,4-dimethoxyphenyl)methyl]pyrimidine-4,6-diamine
CID 112862613
4-N-(3,4-dimethoxyphenyl)-6-N-(3-methylbutyl)pyrimidine-4,6-diamine
CID 112864034
4-N-(3,4-dimethoxyphenyl)-6-N-(4-pyrrolidin-1-ylphenyl)pyrimidine-4,6-diamine
CID 112866539
5-chloro-N-(3,4-dimethoxyphenyl)pyridin-2-amine
CID 66218090

Frequently Asked Questions

What is the IUPAC name of 4-N-(3,4-difluorophenyl)-6-N-(3,4-dimethoxyphenyl)pyrimidine-4,6-diamine?
The IUPAC name of 4-N-(3,4-difluorophenyl)-6-N-(3,4-dimethoxyphenyl)pyrimidine-4,6-diamine (CID 112866560) is 4-N-(3,4-difluorophenyl)-6-N-(3,4-dimethoxyphenyl)pyrimidine-4,6-diamine.
What is the SMILES notation for 4-N-(3,4-difluorophenyl)-6-N-(3,4-dimethoxyphenyl)pyrimidine-4,6-diamine?
The canonical SMILES for 4-N-(3,4-difluorophenyl)-6-N-(3,4-dimethoxyphenyl)pyrimidine-4,6-diamine is COc1ccc(Nc2cc(Nc3ccc(F)c(F)c3)ncn2)cc1OC.
What is the InChIKey of 4-N-(3,4-difluorophenyl)-6-N-(3,4-dimethoxyphenyl)pyrimidine-4,6-diamine?
The InChIKey is HAZGQNNGQXRINC-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H16F2N4O2/c1-25-15-6-4-12(8-16(15)26-2)24-18-9-17(21-10-22-18)23-11-3-5-13(19)14(20)7-11/h3-10H,1-2H3,(H2,21,22,23,24).
What are the key properties of 4-N-(3,4-difluorophenyl)-6-N-(3,4-dimethoxyphenyl)pyrimidine-4,6-diamine?
4-N-(3,4-difluorophenyl)-6-N-(3,4-dimethoxyphenyl)pyrimidine-4,6-diamine has a molecular weight of 358.35 g/mol, XLogP of 4.26, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-N-(3,4-difluorophenyl)-6-N-(3,4-dimethoxyphenyl)pyrimidine-4,6-diamine is sourced from PubChem (CID 112866560), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).