1-(5-fluoro-1H-indol-2-yl)-N-[(2-methoxypyrimidin-5-yl)methyl]-N-methylmethanamine

C16H17FN4O — CID 50968655

IUPAC1-(5-fluoro-1H-indol-2-yl)-N-[(2-methoxypyrimidin-5-yl)methyl]-N-methylmethanamine
SMILESCOc1ncc(CN(C)Cc2cc3cc(F)ccc3[nH]2)cn1
InChIInChI=1S/C16H17FN4O/c1-21(9-11-7-18-16(22-2)19-8-11)10-14-6-12-5-13(17)3-4-15(12)20-14/h3-8,20H,9-10H2,1-2H3
InChIKeyMTVHSPWAKJIEPM-UHFFFAOYSA-N
MW300.34 g/mol
LogP2.74
Rot. Bonds5

About 1-(5-fluoro-1H-indol-2-yl)-N-[(2-methoxypyrimidin-5-yl)methyl]-N-methylmethanamine

1-(5-fluoro-1H-indol-2-yl)-N-[(2-methoxypyrimidin-5-yl)methyl]-N-methylmethanamine (PubChem CID 50968655) has the molecular formula C16H17FN4O and a molecular weight of 300.34 g/mol. Its IUPAC name is 1-(5-fluoro-1H-indol-2-yl)-N-[(2-methoxypyrimidin-5-yl)methyl]-N-methylmethanamine.

Molecular Properties

Compound Name1-(5-fluoro-1H-indol-2-yl)-N-[(2-methoxypyrimidin-5-yl)methyl]-N-methylmethanamine
PubChem CID50968655
Molecular FormulaC16H17FN4O
Molecular Weight300.34 g/mol
Exact Mass300.14
IUPAC Name1-(5-fluoro-1H-indol-2-yl)-N-[(2-methoxypyrimidin-5-yl)methyl]-N-methylmethanamine
SMILESCOc1ncc(CN(C)Cc2cc3cc(F)ccc3[nH]2)cn1
InChIInChI=1S/C16H17FN4O/c1-21(9-11-7-18-16(22-2)19-8-11)10-14-6-12-5-13(17)3-4-15(12)20-14/h3-8,20H,9-10H2,1-2H3
InChIKeyMTVHSPWAKJIEPM-UHFFFAOYSA-N
XLogP2.74
TPSA54.04 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.34
LogP ≤ 52.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-(4,6-dimethyl-2-pyridinyl)-N-[(2-methoxypyrimidin-5-yl)methyl]-N-methylmethanamine
CID 131897657
5-fluoro-2-(2-methylpropyl)-1H-indole
CID 177351441
N-[[3-(3-chlorophenyl)-1-methylpyrazol-4-yl]methyl]-1-(5-fluoro-1H-indol-2-yl)-N-methylmethanamine
CID 26402286
N-[(5-fluoro-1H-indol-2-yl)methyl]-N-methyl-2-(4-methylsulfanylphenyl)acetamide
CID 90653942
6-(3-aminocyclobutyl)-N-[(5-fluoro-1H-indol-2-yl)methyl]-2-(methoxymethyl)-N-methylpyrimidin-4-amine;dihydrochloride
CID 154902367
methyl 3-(5-fluoro-1H-indol-2-yl)propanoate
CID 68676585
N-[(5-fluoro-1H-indol-2-yl)methyl]-N,3-dimethyl-2-phenylimidazole-4-carboxamide
CID 156585037
1-(1H-indol-2-yl)-N-[[1-(3-methoxyphenyl)pyrazol-4-yl]methyl]-N-methylmethanamine
CID 56883576
2-(5-fluoro-1H-indol-2-yl)-N-methylethanamine
CID 82604676
1-(5-fluoro-1H-indol-2-yl)propan-2-amine
CID 10058400
1-(5-fluoro-1H-indol-2-yl)-2-methylpropan-2-ol
CID 117195228
5-fluoro-2-(propan-2-ylsulfanylmethyl)-1H-indole
CID 117176864

Frequently Asked Questions

What is the IUPAC name of 1-(5-fluoro-1H-indol-2-yl)-N-[(2-methoxypyrimidin-5-yl)methyl]-N-methylmethanamine?
The IUPAC name of 1-(5-fluoro-1H-indol-2-yl)-N-[(2-methoxypyrimidin-5-yl)methyl]-N-methylmethanamine (CID 50968655) is 1-(5-fluoro-1H-indol-2-yl)-N-[(2-methoxypyrimidin-5-yl)methyl]-N-methylmethanamine.
What is the SMILES notation for 1-(5-fluoro-1H-indol-2-yl)-N-[(2-methoxypyrimidin-5-yl)methyl]-N-methylmethanamine?
The canonical SMILES for 1-(5-fluoro-1H-indol-2-yl)-N-[(2-methoxypyrimidin-5-yl)methyl]-N-methylmethanamine is COc1ncc(CN(C)Cc2cc3cc(F)ccc3[nH]2)cn1.
What is the InChIKey of 1-(5-fluoro-1H-indol-2-yl)-N-[(2-methoxypyrimidin-5-yl)methyl]-N-methylmethanamine?
The InChIKey is MTVHSPWAKJIEPM-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17FN4O/c1-21(9-11-7-18-16(22-2)19-8-11)10-14-6-12-5-13(17)3-4-15(12)20-14/h3-8,20H,9-10H2,1-2H3.
What are the key properties of 1-(5-fluoro-1H-indol-2-yl)-N-[(2-methoxypyrimidin-5-yl)methyl]-N-methylmethanamine?
1-(5-fluoro-1H-indol-2-yl)-N-[(2-methoxypyrimidin-5-yl)methyl]-N-methylmethanamine has a molecular weight of 300.34 g/mol, XLogP of 2.74, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(5-fluoro-1H-indol-2-yl)-N-[(2-methoxypyrimidin-5-yl)methyl]-N-methylmethanamine is sourced from PubChem (CID 50968655), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).