6-[2-(7-fluoro-4-methoxy-2-methylindol-1-yl)ethylamino]pyrimidine-4-carbonitrile

C17H16FN5O — CID 135333390

IUPAC6-[2-(7-fluoro-4-methoxy-2-methylindol-1-yl)ethylamino]pyrimidine-4-carbonitrile
SMILESCOc1ccc(F)c2c1cc(C)n2CCNc1cc(C#N)ncn1
InChIInChI=1S/C17H16FN5O/c1-11-7-13-15(24-2)4-3-14(18)17(13)23(11)6-5-20-16-8-12(9-19)21-10-22-16/h3-4,7-8,10H,5-6H2,1-2H3,(H,20,21,22)
InChIKeyBAKYHBRDWZVCEO-UHFFFAOYSA-N
MW325.35 g/mol
LogP2.87
Rot. Bonds5

About 6-[2-(7-fluoro-4-methoxy-2-methylindol-1-yl)ethylamino]pyrimidine-4-carbonitrile

6-[2-(7-fluoro-4-methoxy-2-methylindol-1-yl)ethylamino]pyrimidine-4-carbonitrile (PubChem CID 135333390) has the molecular formula C17H16FN5O and a molecular weight of 325.35 g/mol. Its IUPAC name is 6-[2-(7-fluoro-4-methoxy-2-methylindol-1-yl)ethylamino]pyrimidine-4-carbonitrile.

Molecular Properties

Compound Name6-[2-(7-fluoro-4-methoxy-2-methylindol-1-yl)ethylamino]pyrimidine-4-carbonitrile
PubChem CID135333390
Molecular FormulaC17H16FN5O
Molecular Weight325.35 g/mol
Exact Mass325.13
IUPAC Name6-[2-(7-fluoro-4-methoxy-2-methylindol-1-yl)ethylamino]pyrimidine-4-carbonitrile
SMILESCOc1ccc(F)c2c1cc(C)n2CCNc1cc(C#N)ncn1
InChIInChI=1S/C17H16FN5O/c1-11-7-13-15(24-2)4-3-14(18)17(13)23(11)6-5-20-16-8-12(9-19)21-10-22-16/h3-4,7-8,10H,5-6H2,1-2H3,(H,20,21,22)
InChIKeyBAKYHBRDWZVCEO-UHFFFAOYSA-N
XLogP2.87
TPSA75.76 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500325.35
LogP ≤ 52.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 6-[2-(7-fluoro-4-methoxy-2-methylindol-1-yl)ethylamino]pyrimidine-4-carbonitrile?
The IUPAC name of 6-[2-(7-fluoro-4-methoxy-2-methylindol-1-yl)ethylamino]pyrimidine-4-carbonitrile (CID 135333390) is 6-[2-(7-fluoro-4-methoxy-2-methylindol-1-yl)ethylamino]pyrimidine-4-carbonitrile.
What is the SMILES notation for 6-[2-(7-fluoro-4-methoxy-2-methylindol-1-yl)ethylamino]pyrimidine-4-carbonitrile?
The canonical SMILES for 6-[2-(7-fluoro-4-methoxy-2-methylindol-1-yl)ethylamino]pyrimidine-4-carbonitrile is COc1ccc(F)c2c1cc(C)n2CCNc1cc(C#N)ncn1.
What is the InChIKey of 6-[2-(7-fluoro-4-methoxy-2-methylindol-1-yl)ethylamino]pyrimidine-4-carbonitrile?
The InChIKey is BAKYHBRDWZVCEO-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H16FN5O/c1-11-7-13-15(24-2)4-3-14(18)17(13)23(11)6-5-20-16-8-12(9-19)21-10-22-16/h3-4,7-8,10H,5-6H2,1-2H3,(H,20,21,22).
What are the key properties of 6-[2-(7-fluoro-4-methoxy-2-methylindol-1-yl)ethylamino]pyrimidine-4-carbonitrile?
6-[2-(7-fluoro-4-methoxy-2-methylindol-1-yl)ethylamino]pyrimidine-4-carbonitrile has a molecular weight of 325.35 g/mol, XLogP of 2.87, 5 rotatable bonds, 1 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]pyrimidine-4-carbonitrile is sourced from PubChem (CID 135333390), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).