[2-(6-fluoro-2,3-dihydroindol-1-yl)-4-methylpyrimidin-5-yl]methanamine

C14H15FN4 — CID 103502911

IUPAC[2-(6-fluoro-2,3-dihydroindol-1-yl)-4-methylpyrimidin-5-yl]methanamine
SMILESCc1nc(N2CCc3ccc(F)cc32)ncc1CN
InChIInChI=1S/C14H15FN4/c1-9-11(7-16)8-17-14(18-9)19-5-4-10-2-3-12(15)6-13(10)19/h2-3,6,8H,4-5,7,16H2,1H3
InChIKeyCLFVQSXWMLQUML-UHFFFAOYSA-N
MW258.30 g/mol
LogP2.08
Rot. Bonds2

About [2-(6-fluoro-2,3-dihydroindol-1-yl)-4-methylpyrimidin-5-yl]methanamine

[2-(6-fluoro-2,3-dihydroindol-1-yl)-4-methylpyrimidin-5-yl]methanamine (PubChem CID 103502911) has the molecular formula C14H15FN4 and a molecular weight of 258.30 g/mol. Its IUPAC name is [2-(6-fluoro-2,3-dihydroindol-1-yl)-4-methylpyrimidin-5-yl]methanamine.

Molecular Properties

Compound Name[2-(6-fluoro-2,3-dihydroindol-1-yl)-4-methylpyrimidin-5-yl]methanamine
PubChem CID103502911
Molecular FormulaC14H15FN4
Molecular Weight258.30 g/mol
Exact Mass258.13
IUPAC Name[2-(6-fluoro-2,3-dihydroindol-1-yl)-4-methylpyrimidin-5-yl]methanamine
SMILESCc1nc(N2CCc3ccc(F)cc32)ncc1CN
InChIInChI=1S/C14H15FN4/c1-9-11(7-16)8-17-14(18-9)19-5-4-10-2-3-12(15)6-13(10)19/h2-3,6,8H,4-5,7,16H2,1H3
InChIKeyCLFVQSXWMLQUML-UHFFFAOYSA-N
XLogP2.08
TPSA55.04 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.30
LogP ≤ 52.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-(6-fluoro-2,3-dihydroindol-1-yl)pyrimidin-5-amine
CID 103493914
1-[2-(6-fluoro-2,3-dihydroindol-1-yl)pyrimidin-5-yl]propan-2-amine
CID 103503850
[6-(6-fluoro-2,3-dihydroindol-1-yl)-2-methyl-3-pyridinyl]methanol
CID 103501395
1-[5-(chloromethyl)-4-methylpyrimidin-2-yl]-2,3-dihydroindole
CID 83184652
[2-bromo-3-fluoro-4-(6-fluoro-2,3-dihydroindol-1-yl)phenyl]methanamine
CID 107532532
[2-(6-fluoro-2,3-dihydroindol-1-yl)-4-methoxyphenyl]methanamine
CID 103494040
2-(6-fluoro-2,3-dihydroindol-1-yl)pyrimidine-4-carbonitrile
CID 107545455
2-[6-(6-fluoro-2,3-dihydroindol-1-yl)-3-pyridinyl]ethanamine
CID 103503861
[2-(azepan-1-yl)-4-methylpyrimidin-5-yl]methanamine
CID 83186430
6-(6-fluoro-2,3-dihydroindol-1-yl)-2-N,4-N,4-N-trimethyl-1,3,5-triazine-2,4-diamine
CID 103504462
[2-(2,3-dihydroindol-1-yl)-5-fluorophenyl]methanamine
CID 43313804
[2-chloro-6-(6-fluoro-2,3-dihydroindol-1-yl)phenyl]methanamine
CID 103494043

Frequently Asked Questions

What is the IUPAC name of [2-(6-fluoro-2,3-dihydroindol-1-yl)-4-methylpyrimidin-5-yl]methanamine?
The IUPAC name of [2-(6-fluoro-2,3-dihydroindol-1-yl)-4-methylpyrimidin-5-yl]methanamine (CID 103502911) is [2-(6-fluoro-2,3-dihydroindol-1-yl)-4-methylpyrimidin-5-yl]methanamine.
What is the SMILES notation for [2-(6-fluoro-2,3-dihydroindol-1-yl)-4-methylpyrimidin-5-yl]methanamine?
The canonical SMILES for [2-(6-fluoro-2,3-dihydroindol-1-yl)-4-methylpyrimidin-5-yl]methanamine is Cc1nc(N2CCc3ccc(F)cc32)ncc1CN.
What is the InChIKey of [2-(6-fluoro-2,3-dihydroindol-1-yl)-4-methylpyrimidin-5-yl]methanamine?
The InChIKey is CLFVQSXWMLQUML-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15FN4/c1-9-11(7-16)8-17-14(18-9)19-5-4-10-2-3-12(15)6-13(10)19/h2-3,6,8H,4-5,7,16H2,1H3.
What are the key properties of [2-(6-fluoro-2,3-dihydroindol-1-yl)-4-methylpyrimidin-5-yl]methanamine?
[2-(6-fluoro-2,3-dihydroindol-1-yl)-4-methylpyrimidin-5-yl]methanamine has a molecular weight of 258.30 g/mol, XLogP of 2.08, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(6-fluoro-2,3-dihydroindol-1-yl)-4-methylpyrimidin-5-yl]methanamine is sourced from PubChem (CID 103502911), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).