6-N-(3,4-difluorophenyl)-4-N-(3,4,5-trimethoxyphenyl)pyrimidine-4,6-diamine

C19H18F2N4O3 — CID 112867113

IUPAC6-N-(3,4-difluorophenyl)-4-N-(3,4,5-trimethoxyphenyl)pyrimidine-4,6-diamine
SMILESCOc1cc(Nc2cc(Nc3ccc(F)c(F)c3)ncn2)cc(OC)c1OC
InChIInChI=1S/C19H18F2N4O3/c1-26-15-7-12(8-16(27-2)19(15)28-3)25-18-9-17(22-10-23-18)24-11-4-5-13(20)14(21)6-11/h4-10H,1-3H3,(H2,22,23,24,25)
InChIKeyCENIBLHANYCKSF-UHFFFAOYSA-N
MW388.37 g/mol
LogP4.27
Rot. Bonds7

About 6-N-(3,4-difluorophenyl)-4-N-(3,4,5-trimethoxyphenyl)pyrimidine-4,6-diamine

6-N-(3,4-difluorophenyl)-4-N-(3,4,5-trimethoxyphenyl)pyrimidine-4,6-diamine (PubChem CID 112867113) has the molecular formula C19H18F2N4O3 and a molecular weight of 388.37 g/mol. Its IUPAC name is 6-N-(3,4-difluorophenyl)-4-N-(3,4,5-trimethoxyphenyl)pyrimidine-4,6-diamine.

Molecular Properties

Compound Name6-N-(3,4-difluorophenyl)-4-N-(3,4,5-trimethoxyphenyl)pyrimidine-4,6-diamine
PubChem CID112867113
Molecular FormulaC19H18F2N4O3
Molecular Weight388.37 g/mol
Exact Mass388.13
IUPAC Name6-N-(3,4-difluorophenyl)-4-N-(3,4,5-trimethoxyphenyl)pyrimidine-4,6-diamine
SMILESCOc1cc(Nc2cc(Nc3ccc(F)c(F)c3)ncn2)cc(OC)c1OC
InChIInChI=1S/C19H18F2N4O3/c1-26-15-7-12(8-16(27-2)19(15)28-3)25-18-9-17(22-10-23-18)24-11-4-5-13(20)14(21)6-11/h4-10H,1-3H3,(H2,22,23,24,25)
InChIKeyCENIBLHANYCKSF-UHFFFAOYSA-N
XLogP4.27
TPSA77.53 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500388.37
LogP ≤ 54.27
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Related Compounds

4-N-(3,4-difluorophenyl)-6-N-(3,4-dimethoxyphenyl)pyrimidine-4,6-diamine
CID 112866560
6-N-(3,4-dimethoxyphenyl)-4-N-(2,3,4-trifluorophenyl)pyrimidine-4,6-diamine
CID 112866558
N-(3,4-difluorophenyl)-6-hydrazinylpyrimidin-4-amine
CID 80927394
4-N-(3-fluoro-4-methoxyphenyl)pyrimidine-4,6-diamine
CID 80779473
6-N-pyridin-3-yl-4-N-(3,4,5-trimethoxyphenyl)pyrimidine-4,6-diamine
CID 117087940
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-(3,4-difluorophenyl)-6-N-[4-(trifluoromethyl)phenyl]pyrimidine-4,6-diamine
CID 112866617
4-N-(4-bromo-3-methoxyphenyl)-6-N-methylpyrimidine-4,6-diamine
CID 82861687
6-(azepan-1-yl)-N-(3,4,5-trimethoxyphenyl)pyrimidin-4-amine
CID 112864677
1-(3,4-difluorophenyl)-N-(3,4,5-trimethoxyphenyl)-1,2,4-triazol-3-amine
CID 134589250
6-N-(3,4-difluorophenyl)-4-N,4-N-diethylpyrimidine-4,6-diamine
CID 112863564

Frequently Asked Questions

What is the IUPAC name of 6-N-(3,4-difluorophenyl)-4-N-(3,4,5-trimethoxyphenyl)pyrimidine-4,6-diamine?
The IUPAC name of 6-N-(3,4-difluorophenyl)-4-N-(3,4,5-trimethoxyphenyl)pyrimidine-4,6-diamine (CID 112867113) is 6-N-(3,4-difluorophenyl)-4-N-(3,4,5-trimethoxyphenyl)pyrimidine-4,6-diamine.
What is the SMILES notation for 6-N-(3,4-difluorophenyl)-4-N-(3,4,5-trimethoxyphenyl)pyrimidine-4,6-diamine?
The canonical SMILES for 6-N-(3,4-difluorophenyl)-4-N-(3,4,5-trimethoxyphenyl)pyrimidine-4,6-diamine is COc1cc(Nc2cc(Nc3ccc(F)c(F)c3)ncn2)cc(OC)c1OC.
What is the InChIKey of 6-N-(3,4-difluorophenyl)-4-N-(3,4,5-trimethoxyphenyl)pyrimidine-4,6-diamine?
The InChIKey is CENIBLHANYCKSF-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H18F2N4O3/c1-26-15-7-12(8-16(27-2)19(15)28-3)25-18-9-17(22-10-23-18)24-11-4-5-13(20)14(21)6-11/h4-10H,1-3H3,(H2,22,23,24,25).
What are the key properties of 6-N-(3,4-difluorophenyl)-4-N-(3,4,5-trimethoxyphenyl)pyrimidine-4,6-diamine?
6-N-(3,4-difluorophenyl)-4-N-(3,4,5-trimethoxyphenyl)pyrimidine-4,6-diamine has a molecular weight of 388.37 g/mol, XLogP of 4.27, 7 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 6-N-(3,4-difluorophenyl)-4-N-(3,4,5-trimethoxyphenyl)pyrimidine-4,6-diamine is sourced from PubChem (CID 112867113), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).