2-N-(5-amino-2-methoxyphenyl)-5-fluoro-4-N-phenylpyrimidine-2,4-diamine

C17H16FN5O — CID 89188920

IUPAC2-N-(5-amino-2-methoxyphenyl)-5-fluoro-4-N-phenylpyrimidine-2,4-diamine
SMILESCOc1ccc(N)cc1Nc1ncc(F)c(Nc2ccccc2)n1
InChIInChI=1S/C17H16FN5O/c1-24-15-8-7-11(19)9-14(15)22-17-20-10-13(18)16(23-17)21-12-5-3-2-4-6-12/h2-10H,19H2,1H3,(H2,20,21,22,23)
InChIKeyBIYFPYMUCDDBLO-UHFFFAOYSA-N
MW325.35 g/mol
LogP3.69
Rot. Bonds5

About 2-N-(5-amino-2-methoxyphenyl)-5-fluoro-4-N-phenylpyrimidine-2,4-diamine

2-N-(5-amino-2-methoxyphenyl)-5-fluoro-4-N-phenylpyrimidine-2,4-diamine (PubChem CID 89188920) has the molecular formula C17H16FN5O and a molecular weight of 325.35 g/mol. Its IUPAC name is 2-N-(5-amino-2-methoxyphenyl)-5-fluoro-4-N-phenylpyrimidine-2,4-diamine.

Molecular Properties

Compound Name2-N-(5-amino-2-methoxyphenyl)-5-fluoro-4-N-phenylpyrimidine-2,4-diamine
PubChem CID89188920
Molecular FormulaC17H16FN5O
Molecular Weight325.35 g/mol
Exact Mass325.13
IUPAC Name2-N-(5-amino-2-methoxyphenyl)-5-fluoro-4-N-phenylpyrimidine-2,4-diamine
SMILESCOc1ccc(N)cc1Nc1ncc(F)c(Nc2ccccc2)n1
InChIInChI=1S/C17H16FN5O/c1-24-15-8-7-11(19)9-14(15)22-17-20-10-13(18)16(23-17)21-12-5-3-2-4-6-12/h2-10H,19H2,1H3,(H2,20,21,22,23)
InChIKeyBIYFPYMUCDDBLO-UHFFFAOYSA-N
XLogP3.69
TPSA85.09 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500325.35
LogP ≤ 53.69
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

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Related Compounds

5-fluoro-2-N-(2-methoxy-5-nitrophenyl)-4-N-phenylpyrimidine-2,4-diamine
CID 71014659
4-N-(3-aminophenyl)-5-fluoro-2-N-(3-fluoro-4-methoxyphenyl)pyrimidine-2,4-diamine
CID 139565423
5-fluoro-4-N-(2-methoxyphenyl)-2-N-(3-methylsulfanylphenyl)pyrimidine-2,4-diamine
CID 17311136
5-fluoro-2-N,4-N-bis(3-methoxyphenyl)pyrimidine-2,4-diamine
CID 22061080
N-(3,4-dimethoxyphenyl)-5-fluoro-2-hydrazinylpyrimidin-4-amine
CID 80920092
2-N,4-N-bis(3-aminophenyl)-5-fluoropyrimidine-2,4-diamine;hydron
CID 69247498
1-[2-[[2-(5-amino-2-methoxyanilino)-5-chloropyrimidin-4-yl]amino]phenyl]ethanol
CID 118601808
4-N-(5-bromo-2-methoxyphenyl)-5-fluoro-2-N-methylpyrimidine-2,4-diamine
CID 80804520
4-N-(3-aminophenyl)-5-fluoro-2-N-(3-propan-2-yloxyphenyl)pyrimidine-2,4-diamine
CID 22060410
2-[[2-(5-amino-2-methoxyanilino)-5-chloropyrimidin-4-yl]amino]-N-methylbenzamide
CID 67468507
5-fluoro-2-N,4-N-bis(3-methylsulfanylphenyl)pyrimidine-2,4-diamine
CID 1284769
5-fluoro-4-methoxy-N-phenylpyrimidin-2-amine
CID 121221051

Frequently Asked Questions

What is the IUPAC name of 2-N-(5-amino-2-methoxyphenyl)-5-fluoro-4-N-phenylpyrimidine-2,4-diamine?
The IUPAC name of 2-N-(5-amino-2-methoxyphenyl)-5-fluoro-4-N-phenylpyrimidine-2,4-diamine (CID 89188920) is 2-N-(5-amino-2-methoxyphenyl)-5-fluoro-4-N-phenylpyrimidine-2,4-diamine.
What is the SMILES notation for 2-N-(5-amino-2-methoxyphenyl)-5-fluoro-4-N-phenylpyrimidine-2,4-diamine?
The canonical SMILES for 2-N-(5-amino-2-methoxyphenyl)-5-fluoro-4-N-phenylpyrimidine-2,4-diamine is COc1ccc(N)cc1Nc1ncc(F)c(Nc2ccccc2)n1.
What is the InChIKey of 2-N-(5-amino-2-methoxyphenyl)-5-fluoro-4-N-phenylpyrimidine-2,4-diamine?
The InChIKey is BIYFPYMUCDDBLO-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H16FN5O/c1-24-15-8-7-11(19)9-14(15)22-17-20-10-13(18)16(23-17)21-12-5-3-2-4-6-12/h2-10H,19H2,1H3,(H2,20,21,22,23).
What are the key properties of 2-N-(5-amino-2-methoxyphenyl)-5-fluoro-4-N-phenylpyrimidine-2,4-diamine?
2-N-(5-amino-2-methoxyphenyl)-5-fluoro-4-N-phenylpyrimidine-2,4-diamine has a molecular weight of 325.35 g/mol, XLogP of 3.69, 5 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-N-(5-amino-2-methoxyphenyl)-5-fluoro-4-N-phenylpyrimidine-2,4-diamine is sourced from PubChem (CID 89188920), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).