N-[2-(3,4-difluorophenyl)-5-methylpyrimidin-4-yl]-6-fluoro-1H-isoindol-5-amine

C19H13F3N4 — CID 153118191

IUPACN-[2-(3,4-difluorophenyl)-5-methylpyrimidin-4-yl]-6-fluoro-1H-isoindol-5-amine
SMILESCc1cnc(-c2ccc(F)c(F)c2)nc1Nc1cc2c(cc1F)CN=C2
InChIInChI=1S/C19H13F3N4/c1-10-7-24-19(11-2-3-14(20)15(21)4-11)26-18(10)25-17-6-13-9-23-8-12(13)5-16(17)22/h2-7,9H,8H2,1H3,(H,24,25,26)
InChIKeyVUIADQQZCQAZCY-UHFFFAOYSA-N
MW354.34 g/mol
LogP4.55
Rot. Bonds3

About N-[2-(3,4-difluorophenyl)-5-methylpyrimidin-4-yl]-6-fluoro-1H-isoindol-5-amine

N-[2-(3,4-difluorophenyl)-5-methylpyrimidin-4-yl]-6-fluoro-1H-isoindol-5-amine (PubChem CID 153118191) has the molecular formula C19H13F3N4 and a molecular weight of 354.34 g/mol. Its IUPAC name is N-[2-(3,4-difluorophenyl)-5-methylpyrimidin-4-yl]-6-fluoro-1H-isoindol-5-amine.

Molecular Properties

Compound NameN-[2-(3,4-difluorophenyl)-5-methylpyrimidin-4-yl]-6-fluoro-1H-isoindol-5-amine
PubChem CID153118191
Molecular FormulaC19H13F3N4
Molecular Weight354.34 g/mol
Exact Mass354.11
IUPAC NameN-[2-(3,4-difluorophenyl)-5-methylpyrimidin-4-yl]-6-fluoro-1H-isoindol-5-amine
SMILESCc1cnc(-c2ccc(F)c(F)c2)nc1Nc1cc2c(cc1F)CN=C2
InChIInChI=1S/C19H13F3N4/c1-10-7-24-19(11-2-3-14(20)15(21)4-11)26-18(10)25-17-6-13-9-23-8-12(13)5-16(17)22/h2-7,9H,8H2,1H3,(H,24,25,26)
InChIKeyVUIADQQZCQAZCY-UHFFFAOYSA-N
XLogP4.55
TPSA50.17 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500354.34
LogP ≤ 54.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[2-(4-fluoro-3-methylphenyl)-5-methylpyrimidin-4-yl]-7H-pyrrolo[3,4-b]pyridin-3-amine
CID 152818572
6-fluoro-N-[5-methyl-2-(3-methylphenyl)pyrimidin-4-yl]-1H-indazol-5-amine
CID 122589669
2-(3,4-difluorophenyl)-5-methylpyrimidine
CID 14365247
2-chloro-N-(2,5-difluoro-4-methylphenyl)-5-methylpyrimidin-4-amine
CID 103586890
4-N-(2-fluoro-5-methylphenyl)-5-methylpyrimidine-2,4-diamine
CID 80755372
N-[2-(3,4-difluorophenyl)-5-fluoropyrimidin-4-yl]-1H-indazol-5-amine
CID 122589652
4-N-(4-chloro-2-fluorophenyl)-2-N,5-dimethylpyrimidine-2,4-diamine
CID 80800229
[(2S,6S)-2,6-dimethylmorpholin-4-yl]-[(7S)-4-[(6-fluoro-1H-isoindol-5-yl)amino]-5,6,7,8-tetrahydro-[1]benzothiolo[2,3-d]pyrimidin-7-yl]methanone
CID 158454566
4-N-(2,5-difluoro-4-methylphenyl)-2-N-ethyl-5-methylpyrimidine-2,4-diamine
CID 103587790
2-(5-chloro-2-fluorophenyl)-5-methyl-N-pyridin-4-ylpyrimidin-4-amine;ethane;2-(2-fluorophenyl)-5-methyl-N-pyridin-4-ylpyrimidin-4-amine;5-methyl-2-(3-methylphenyl)-N-pyridin-4-ylpyrimidin-4-amine
CID 142902219
2-(3,4-difluorophenyl)-5-iodo-N,6-dimethylpyrimidin-4-amine
CID 66304716
N-[5-fluoro-2-(2-methyl-1,3-dihydroisoindol-5-yl)pyrimidin-4-yl]-6-methoxy-1H-indazol-5-amine
CID 166920643

Frequently Asked Questions

What is the IUPAC name of N-[2-(3,4-difluorophenyl)-5-methylpyrimidin-4-yl]-6-fluoro-1H-isoindol-5-amine?
The IUPAC name of N-[2-(3,4-difluorophenyl)-5-methylpyrimidin-4-yl]-6-fluoro-1H-isoindol-5-amine (CID 153118191) is N-[2-(3,4-difluorophenyl)-5-methylpyrimidin-4-yl]-6-fluoro-1H-isoindol-5-amine.
What is the SMILES notation for N-[2-(3,4-difluorophenyl)-5-methylpyrimidin-4-yl]-6-fluoro-1H-isoindol-5-amine?
The canonical SMILES for N-[2-(3,4-difluorophenyl)-5-methylpyrimidin-4-yl]-6-fluoro-1H-isoindol-5-amine is Cc1cnc(-c2ccc(F)c(F)c2)nc1Nc1cc2c(cc1F)CN=C2.
What is the InChIKey of N-[2-(3,4-difluorophenyl)-5-methylpyrimidin-4-yl]-6-fluoro-1H-isoindol-5-amine?
The InChIKey is VUIADQQZCQAZCY-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H13F3N4/c1-10-7-24-19(11-2-3-14(20)15(21)4-11)26-18(10)25-17-6-13-9-23-8-12(13)5-16(17)22/h2-7,9H,8H2,1H3,(H,24,25,26).
What are the key properties of N-[2-(3,4-difluorophenyl)-5-methylpyrimidin-4-yl]-6-fluoro-1H-isoindol-5-amine?
N-[2-(3,4-difluorophenyl)-5-methylpyrimidin-4-yl]-6-fluoro-1H-isoindol-5-amine has a molecular weight of 354.34 g/mol, XLogP of 4.55, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(3,4-difluorophenyl)-5-methylpyrimidin-4-yl]-6-fluoro-1H-isoindol-5-amine is sourced from PubChem (CID 153118191), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).