N-[2-(6-fluoro-4-methoxy-2-methylindol-1-yl)ethyl]-6-(1-methylindol-5-yl)pyrimidin-4-amine

C25H24FN5O — CID 135333560

IUPACN-[2-(6-fluoro-4-methoxy-2-methylindol-1-yl)ethyl]-6-(1-methylindol-5-yl)pyrimidin-4-amine
SMILESCOc1cc(F)cc2c1cc(C)n2CCNc1cc(-c2ccc3c(ccn3C)c2)ncn1
InChIInChI=1S/C25H24FN5O/c1-16-10-20-23(12-19(26)13-24(20)32-3)31(16)9-7-27-25-14-21(28-15-29-25)17-4-5-22-18(11-17)6-8-30(22)2/h4-6,8,10-15H,7,9H2,1-3H3,(H,27,28,29)
InChIKeyPZLBHQWEOGVJFC-UHFFFAOYSA-N
MW429.50 g/mol
LogP5.16
Rot. Bonds6

About N-[2-(6-fluoro-4-methoxy-2-methylindol-1-yl)ethyl]-6-(1-methylindol-5-yl)pyrimidin-4-amine

N-[2-(6-fluoro-4-methoxy-2-methylindol-1-yl)ethyl]-6-(1-methylindol-5-yl)pyrimidin-4-amine (PubChem CID 135333560) has the molecular formula C25H24FN5O and a molecular weight of 429.50 g/mol. Its IUPAC name is N-[2-(6-fluoro-4-methoxy-2-methylindol-1-yl)ethyl]-6-(1-methylindol-5-yl)pyrimidin-4-amine.

Molecular Properties

Compound NameN-[2-(6-fluoro-4-methoxy-2-methylindol-1-yl)ethyl]-6-(1-methylindol-5-yl)pyrimidin-4-amine
PubChem CID135333560
Molecular FormulaC25H24FN5O
Molecular Weight429.50 g/mol
Exact Mass429.20
IUPAC NameN-[2-(6-fluoro-4-methoxy-2-methylindol-1-yl)ethyl]-6-(1-methylindol-5-yl)pyrimidin-4-amine
SMILESCOc1cc(F)cc2c1cc(C)n2CCNc1cc(-c2ccc3c(ccn3C)c2)ncn1
InChIInChI=1S/C25H24FN5O/c1-16-10-20-23(12-19(26)13-24(20)32-3)31(16)9-7-27-25-14-21(28-15-29-25)17-4-5-22-18(11-17)6-8-30(22)2/h4-6,8,10-15H,7,9H2,1-3H3,(H,27,28,29)
InChIKeyPZLBHQWEOGVJFC-UHFFFAOYSA-N
XLogP5.16
TPSA56.90 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500429.50
LogP ≤ 55.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-[2-(6-fluoro-4-methoxy-2-methylindol-1-yl)ethyl]-6-(1-methylindol-5-yl)pyrimidin-4-amine?
The IUPAC name of N-[2-(6-fluoro-4-methoxy-2-methylindol-1-yl)ethyl]-6-(1-methylindol-5-yl)pyrimidin-4-amine (CID 135333560) is N-[2-(6-fluoro-4-methoxy-2-methylindol-1-yl)ethyl]-6-(1-methylindol-5-yl)pyrimidin-4-amine.
What is the SMILES notation for N-[2-(6-fluoro-4-methoxy-2-methylindol-1-yl)ethyl]-6-(1-methylindol-5-yl)pyrimidin-4-amine?
The canonical SMILES for N-[2-(6-fluoro-4-methoxy-2-methylindol-1-yl)ethyl]-6-(1-methylindol-5-yl)pyrimidin-4-amine is COc1cc(F)cc2c1cc(C)n2CCNc1cc(-c2ccc3c(ccn3C)c2)ncn1.
What is the InChIKey of N-[2-(6-fluoro-4-methoxy-2-methylindol-1-yl)ethyl]-6-(1-methylindol-5-yl)pyrimidin-4-amine?
The InChIKey is PZLBHQWEOGVJFC-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H24FN5O/c1-16-10-20-23(12-19(26)13-24(20)32-3)31(16)9-7-27-25-14-21(28-15-29-25)17-4-5-22-18(11-17)6-8-30(22)2/h4-6,8,10-15H,7,9H2,1-3H3,(H,27,28,29).
What are the key properties of N-[2-(6-fluoro-4-methoxy-2-methylindol-1-yl)ethyl]-6-(1-methylindol-5-yl)pyrimidin-4-amine?
N-[2-(6-fluoro-4-methoxy-2-methylindol-1-yl)ethyl]-6-(1-methylindol-5-yl)pyrimidin-4-amine has a molecular weight of 429.50 g/mol, XLogP of 5.16, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(6-fluoro-4-methoxy-2-methylindol-1-yl)ethyl]-6-(1-methylindol-5-yl)pyrimidin-4-amine is sourced from PubChem (CID 135333560), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).