4-N-(3-fluoro-4-methoxyphenyl)pyrimidine-4,6-diamine

C11H11FN4O — CID 80779473

IUPAC4-N-(3-fluoro-4-methoxyphenyl)pyrimidine-4,6-diamine
SMILESCOc1ccc(Nc2cc(N)ncn2)cc1F
InChIInChI=1S/C11H11FN4O/c1-17-9-3-2-7(4-8(9)12)16-11-5-10(13)14-6-15-11/h2-6H,1H3,(H3,13,14,15,16)
InChIKeyROLCHAOWUZQRQN-UHFFFAOYSA-N
MW234.23 g/mol
LogP1.95
Rot. Bonds3

About 4-N-(3-fluoro-4-methoxyphenyl)pyrimidine-4,6-diamine

4-N-(3-fluoro-4-methoxyphenyl)pyrimidine-4,6-diamine (PubChem CID 80779473) has the molecular formula C11H11FN4O and a molecular weight of 234.23 g/mol. Its IUPAC name is 4-N-(3-fluoro-4-methoxyphenyl)pyrimidine-4,6-diamine.

Molecular Properties

Compound Name4-N-(3-fluoro-4-methoxyphenyl)pyrimidine-4,6-diamine
PubChem CID80779473
Molecular FormulaC11H11FN4O
Molecular Weight234.23 g/mol
Exact Mass234.09
IUPAC Name4-N-(3-fluoro-4-methoxyphenyl)pyrimidine-4,6-diamine
SMILESCOc1ccc(Nc2cc(N)ncn2)cc1F
InChIInChI=1S/C11H11FN4O/c1-17-9-3-2-7(4-8(9)12)16-11-5-10(13)14-6-15-11/h2-6H,1H3,(H3,13,14,15,16)
InChIKeyROLCHAOWUZQRQN-UHFFFAOYSA-N
XLogP1.95
TPSA73.06 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500234.23
LogP ≤ 51.95
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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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-difluorophenyl)-4-N-(3,4,5-trimethoxyphenyl)pyrimidine-4,6-diamine
CID 112867113
4-N-(2,6-difluorophenyl)-6-N-(3,4-dimethoxyphenyl)pyrimidine-4,6-diamine
CID 112866559
N-(3-fluoro-4-methoxyphenyl)-6-hydrazinyl-2-methylpyrimidin-4-amine
CID 80894943
6-N-(3,4-dimethoxyphenyl)-4-N-(2,3,4-trifluorophenyl)pyrimidine-4,6-diamine
CID 112866558
4-N-(3,4-dimethoxyphenyl)-6-N-methylpyrimidine-4,6-diamine
CID 80759827
4-N-[3-bromo-4-(trifluoromethoxy)phenyl]pyrimidine-4,6-diamine
CID 107336858
4-N-(3-fluoro-4-methoxyphenyl)-1H-pyrazole-4,5-diamine
CID 82236271
3-fluoro-4-methoxy-N-methylaniline
CID 21307269
N-(3-chloro-4-methoxyphenyl)-6-methylpyrimidin-4-amine
CID 16805593
4-N-(3-fluoro-4-methoxyphenyl)-2-(trifluoromethyl)benzene-1,4-diamine
CID 43380714
1-N-(3-fluoro-4-methoxyphenyl)-4-methylbenzene-1,2-diamine
CID 43380700

Frequently Asked Questions

What is the IUPAC name of 4-N-(3-fluoro-4-methoxyphenyl)pyrimidine-4,6-diamine?
The IUPAC name of 4-N-(3-fluoro-4-methoxyphenyl)pyrimidine-4,6-diamine (CID 80779473) is 4-N-(3-fluoro-4-methoxyphenyl)pyrimidine-4,6-diamine.
What is the SMILES notation for 4-N-(3-fluoro-4-methoxyphenyl)pyrimidine-4,6-diamine?
The canonical SMILES for 4-N-(3-fluoro-4-methoxyphenyl)pyrimidine-4,6-diamine is COc1ccc(Nc2cc(N)ncn2)cc1F.
What is the InChIKey of 4-N-(3-fluoro-4-methoxyphenyl)pyrimidine-4,6-diamine?
The InChIKey is ROLCHAOWUZQRQN-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H11FN4O/c1-17-9-3-2-7(4-8(9)12)16-11-5-10(13)14-6-15-11/h2-6H,1H3,(H3,13,14,15,16).
What are the key properties of 4-N-(3-fluoro-4-methoxyphenyl)pyrimidine-4,6-diamine?
4-N-(3-fluoro-4-methoxyphenyl)pyrimidine-4,6-diamine has a molecular weight of 234.23 g/mol, XLogP of 1.95, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-N-(3-fluoro-4-methoxyphenyl)pyrimidine-4,6-diamine is sourced from PubChem (CID 80779473), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).