N-[2-(2-fluorophenyl)pyrimidin-4-yl]-1H-isoindol-5-amine

C18H13FN4 — CID 152803394

IUPACN-[2-(2-fluorophenyl)pyrimidin-4-yl]-1H-isoindol-5-amine
SMILESFc1ccccc1-c1nccc(Nc2ccc3c(c2)C=NC3)n1
InChIInChI=1S/C18H13FN4/c19-16-4-2-1-3-15(16)18-21-8-7-17(23-18)22-14-6-5-12-10-20-11-13(12)9-14/h1-9,11H,10H2,(H,21,22,23)
InChIKeySOQICPNRKIKCLT-UHFFFAOYSA-N
MW304.33 g/mol
LogP3.96
Rot. Bonds3

About N-[2-(2-fluorophenyl)pyrimidin-4-yl]-1H-isoindol-5-amine

N-[2-(2-fluorophenyl)pyrimidin-4-yl]-1H-isoindol-5-amine (PubChem CID 152803394) has the molecular formula C18H13FN4 and a molecular weight of 304.33 g/mol. Its IUPAC name is N-[2-(2-fluorophenyl)pyrimidin-4-yl]-1H-isoindol-5-amine.

Molecular Properties

Compound NameN-[2-(2-fluorophenyl)pyrimidin-4-yl]-1H-isoindol-5-amine
PubChem CID152803394
Molecular FormulaC18H13FN4
Molecular Weight304.33 g/mol
Exact Mass304.11
IUPAC NameN-[2-(2-fluorophenyl)pyrimidin-4-yl]-1H-isoindol-5-amine
SMILESFc1ccccc1-c1nccc(Nc2ccc3c(c2)C=NC3)n1
InChIInChI=1S/C18H13FN4/c19-16-4-2-1-3-15(16)18-21-8-7-17(23-18)22-14-6-5-12-10-20-11-13(12)9-14/h1-9,11H,10H2,(H,21,22,23)
InChIKeySOQICPNRKIKCLT-UHFFFAOYSA-N
XLogP3.96
TPSA50.17 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.33
LogP ≤ 53.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[2-(4,7-diazaspiro[2.5]octan-7-yl)pyrimidin-4-yl]-1H-isoindol-5-amine
CID 147378133
5-[4-(1H-isoindol-5-ylamino)pyrimidin-2-yl]-3-methyl-N-pyridazin-4-yl-2,3-dihydro-1H-indole-2-carboxamide
CID 167560154
2-(2-fluorophenyl)-6-N-(2-fluoro-4-pyridinyl)-4-N-(3-oxabicyclo[3.1.0]hexan-6-yl)pyrimidine-4,6-diamine
CID 123146186
4-[4-(1H-isoindol-5-ylamino)quinazolin-2-yl]phenol
CID 164969444
2-(4-fluorophenyl)-N-(1H-isoindol-5-yl)-7H-pyrrolo[2,3-d]pyrimidin-4-amine
CID 161474659
1-[6-[4-(3H-isoindol-5-ylamino)pyrimidin-2-yl]-1H-indol-2-yl]-3-methylbutan-1-one
CID 159663986
N-[2-(2-fluoro-5-methylphenyl)pyrimidin-4-yl]-1H-indazol-5-amine
CID 122589674
2-(2-fluorophenyl)-N-pyridin-4-ylpyridin-4-amine
CID 144881536
2-[2-(2-fluorophenyl)pyrimidin-4-yl]pyridine-4-carboxylic acid
CID 56873737
N-(3,4-dimethylphenyl)-3-(2-fluorophenyl)-1,2,4-oxadiazol-5-amine
CID 53299052
4-N-(3-chloro-4-fluorophenyl)-2-N-(2,6-difluorophenyl)pyrimidine-2,4-diamine
CID 112904153
4-N-(3-chloro-4-fluorophenyl)-2-N-[2-(2-fluorophenyl)ethyl]pyrimidine-2,4-diamine
CID 112894617

Frequently Asked Questions

What is the IUPAC name of N-[2-(2-fluorophenyl)pyrimidin-4-yl]-1H-isoindol-5-amine?
The IUPAC name of N-[2-(2-fluorophenyl)pyrimidin-4-yl]-1H-isoindol-5-amine (CID 152803394) is N-[2-(2-fluorophenyl)pyrimidin-4-yl]-1H-isoindol-5-amine.
What is the SMILES notation for N-[2-(2-fluorophenyl)pyrimidin-4-yl]-1H-isoindol-5-amine?
The canonical SMILES for N-[2-(2-fluorophenyl)pyrimidin-4-yl]-1H-isoindol-5-amine is Fc1ccccc1-c1nccc(Nc2ccc3c(c2)C=NC3)n1.
What is the InChIKey of N-[2-(2-fluorophenyl)pyrimidin-4-yl]-1H-isoindol-5-amine?
The InChIKey is SOQICPNRKIKCLT-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H13FN4/c19-16-4-2-1-3-15(16)18-21-8-7-17(23-18)22-14-6-5-12-10-20-11-13(12)9-14/h1-9,11H,10H2,(H,21,22,23).
What are the key properties of N-[2-(2-fluorophenyl)pyrimidin-4-yl]-1H-isoindol-5-amine?
N-[2-(2-fluorophenyl)pyrimidin-4-yl]-1H-isoindol-5-amine has a molecular weight of 304.33 g/mol, XLogP of 3.96, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(2-fluorophenyl)pyrimidin-4-yl]-1H-isoindol-5-amine is sourced from PubChem (CID 152803394), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).