6-[2-(7-fluoro-4-methoxy-2-methylindol-1-yl)ethylamino]-2-methylpyrimidine-4-carboxylic acid

C18H19FN4O3 — CID 145311600

IUPAC6-[2-(7-fluoro-4-methoxy-2-methylindol-1-yl)ethylamino]-2-methylpyrimidine-4-carboxylic acid
SMILESCOc1ccc(F)c2c1cc(C)n2CCNc1cc(C(=O)O)nc(C)n1
InChIInChI=1S/C18H19FN4O3/c1-10-8-12-15(26-3)5-4-13(19)17(12)23(10)7-6-20-16-9-14(18(24)25)21-11(2)22-16/h4-5,8-9H,6-7H2,1-3H3,(H,24,25)(H,20,21,22)
InChIKeyJANIMNPLHUPSDW-UHFFFAOYSA-N
MW358.37 g/mol
LogP3.01
Rot. Bonds6

About 6-[2-(7-fluoro-4-methoxy-2-methylindol-1-yl)ethylamino]-2-methylpyrimidine-4-carboxylic acid

6-[2-(7-fluoro-4-methoxy-2-methylindol-1-yl)ethylamino]-2-methylpyrimidine-4-carboxylic acid (PubChem CID 145311600) has the molecular formula C18H19FN4O3 and a molecular weight of 358.37 g/mol. Its IUPAC name is 6-[2-(7-fluoro-4-methoxy-2-methylindol-1-yl)ethylamino]-2-methylpyrimidine-4-carboxylic acid.

Molecular Properties

Compound Name6-[2-(7-fluoro-4-methoxy-2-methylindol-1-yl)ethylamino]-2-methylpyrimidine-4-carboxylic acid
PubChem CID145311600
Molecular FormulaC18H19FN4O3
Molecular Weight358.37 g/mol
Exact Mass358.14
IUPAC Name6-[2-(7-fluoro-4-methoxy-2-methylindol-1-yl)ethylamino]-2-methylpyrimidine-4-carboxylic acid
SMILESCOc1ccc(F)c2c1cc(C)n2CCNc1cc(C(=O)O)nc(C)n1
InChIInChI=1S/C18H19FN4O3/c1-10-8-12-15(26-3)5-4-13(19)17(12)23(10)7-6-20-16-9-14(18(24)25)21-11(2)22-16/h4-5,8-9H,6-7H2,1-3H3,(H,24,25)(H,20,21,22)
InChIKeyJANIMNPLHUPSDW-UHFFFAOYSA-N
XLogP3.01
TPSA89.27 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500358.37
LogP ≤ 53.01
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

2-tert-butyl-4-[6-[2-(7-fluoro-4-methoxy-2-methylindol-1-yl)ethylamino]pyrimidin-4-yl]benzoic acid
CID 156759917
2-[2-ethoxy-4-[6-[2-(7-fluoro-4-methoxy-2-methylindol-1-yl)ethylamino]pyrimidin-4-yl]phenoxy]propanoic acid
CID 156759866
4-butoxy-2-[4-[2-(7-fluoro-4-methoxy-2-methylindol-1-yl)ethylamino]-2-pyridinyl]-1,3-thiazole-5-carboxylic acid
CID 156711345
1-[3-ethoxy-5-[6-[2-(7-fluoro-4-methoxy-2-methylindol-1-yl)ethylamino]pyrimidin-4-yl]thiophen-2-yl]ethanone
CID 135333170
N-[2-(7-fluoro-4-methoxy-2-methylindol-1-yl)ethyl]-6-quinolin-6-ylpyrimidin-4-amine
CID 135333261
N-[2-(7-fluoro-4-methoxy-2-methylindol-1-yl)ethyl]-6-(1H-indol-5-yl)pyrimidin-4-amine
CID 135333256
N-[2-(7-fluoro-4-methoxy-2-methylindol-1-yl)ethyl]-6-[4-(2-methyl-1,3-thiazol-4-yl)phenyl]pyrimidin-4-amine
CID 156760079
4-[6-[2-(7-fluoro-4-methoxy-2-methylindol-1-yl)ethylamino]pyrimidin-4-yl]-2-(2-oxaspiro[3.3]heptan-6-yloxy)benzoic acid
CID 135333504
3-butoxy-5-[4-[2-(7-fluoro-4-methoxy-2-methylindol-1-yl)ethylamino]-2-pyridinyl]thiophene-2-carboxylic acid
CID 156711270
N-[2-(7-fluoro-4-methoxy-2-methylindol-1-yl)ethyl]-6-(1-methylindazol-6-yl)pyrimidin-4-amine
CID 135333474
N-[2-(7-fluoro-4-methoxy-2-methylindol-1-yl)ethyl]-6-[5-(tetrazolidin-5-yl)thiophen-2-yl]pyrimidin-4-amine
CID 171991048
N-[2-(7-fluoro-4-methoxy-2-methylindol-1-yl)ethyl]-6-(2-methyl-1,3-benzoxazol-6-yl)pyrimidin-4-amine
CID 156759916

Frequently Asked Questions

What is the IUPAC name of 6-[2-(7-fluoro-4-methoxy-2-methylindol-1-yl)ethylamino]-2-methylpyrimidine-4-carboxylic acid?
The IUPAC name of 6-[2-(7-fluoro-4-methoxy-2-methylindol-1-yl)ethylamino]-2-methylpyrimidine-4-carboxylic acid (CID 145311600) is 6-[2-(7-fluoro-4-methoxy-2-methylindol-1-yl)ethylamino]-2-methylpyrimidine-4-carboxylic acid.
What is the SMILES notation for 6-[2-(7-fluoro-4-methoxy-2-methylindol-1-yl)ethylamino]-2-methylpyrimidine-4-carboxylic acid?
The canonical SMILES for 6-[2-(7-fluoro-4-methoxy-2-methylindol-1-yl)ethylamino]-2-methylpyrimidine-4-carboxylic acid is COc1ccc(F)c2c1cc(C)n2CCNc1cc(C(=O)O)nc(C)n1.
What is the InChIKey of 6-[2-(7-fluoro-4-methoxy-2-methylindol-1-yl)ethylamino]-2-methylpyrimidine-4-carboxylic acid?
The InChIKey is JANIMNPLHUPSDW-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19FN4O3/c1-10-8-12-15(26-3)5-4-13(19)17(12)23(10)7-6-20-16-9-14(18(24)25)21-11(2)22-16/h4-5,8-9H,6-7H2,1-3H3,(H,24,25)(H,20,21,22).
What are the key properties of 6-[2-(7-fluoro-4-methoxy-2-methylindol-1-yl)ethylamino]-2-methylpyrimidine-4-carboxylic acid?
6-[2-(7-fluoro-4-methoxy-2-methylindol-1-yl)ethylamino]-2-methylpyrimidine-4-carboxylic acid has a molecular weight of 358.37 g/mol, XLogP of 3.01, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[2-(7-fluoro-4-methoxy-2-methylindol-1-yl)ethylamino]-2-methylpyrimidine-4-carboxylic acid is sourced from PubChem (CID 145311600), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).