N-[2-[7-(fluoromethoxy)-2-methylindol-1-yl]ethyl]pyrimidin-4-amine

C16H17FN4O — CID 135333812

IUPACN-[2-[7-(fluoromethoxy)-2-methylindol-1-yl]ethyl]pyrimidin-4-amine
SMILESCc1cc2cccc(OCF)c2n1CCNc1ccncn1
InChIInChI=1S/C16H17FN4O/c1-12-9-13-3-2-4-14(22-10-17)16(13)21(12)8-7-19-15-5-6-18-11-20-15/h2-6,9,11H,7-8,10H2,1H3,(H,18,19,20)
InChIKeyHSANROQRXYCSJX-UHFFFAOYSA-N
MW300.34 g/mol
LogP3.16
Rot. Bonds6

About N-[2-[7-(fluoromethoxy)-2-methylindol-1-yl]ethyl]pyrimidin-4-amine

N-[2-[7-(fluoromethoxy)-2-methylindol-1-yl]ethyl]pyrimidin-4-amine (PubChem CID 135333812) has the molecular formula C16H17FN4O and a molecular weight of 300.34 g/mol. Its IUPAC name is N-[2-[7-(fluoromethoxy)-2-methylindol-1-yl]ethyl]pyrimidin-4-amine.

Molecular Properties

Compound NameN-[2-[7-(fluoromethoxy)-2-methylindol-1-yl]ethyl]pyrimidin-4-amine
PubChem CID135333812
Molecular FormulaC16H17FN4O
Molecular Weight300.34 g/mol
Exact Mass300.14
IUPAC NameN-[2-[7-(fluoromethoxy)-2-methylindol-1-yl]ethyl]pyrimidin-4-amine
SMILESCc1cc2cccc(OCF)c2n1CCNc1ccncn1
InChIInChI=1S/C16H17FN4O/c1-12-9-13-3-2-4-14(22-10-17)16(13)21(12)8-7-19-15-5-6-18-11-20-15/h2-6,9,11H,7-8,10H2,1H3,(H,18,19,20)
InChIKeyHSANROQRXYCSJX-UHFFFAOYSA-N
XLogP3.16
TPSA51.97 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.34
LogP ≤ 53.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-[2-[7-(fluoromethoxy)-2-methylindol-1-yl]ethyl]pyrimidin-4-amine?
The IUPAC name of N-[2-[7-(fluoromethoxy)-2-methylindol-1-yl]ethyl]pyrimidin-4-amine (CID 135333812) is N-[2-[7-(fluoromethoxy)-2-methylindol-1-yl]ethyl]pyrimidin-4-amine.
What is the SMILES notation for N-[2-[7-(fluoromethoxy)-2-methylindol-1-yl]ethyl]pyrimidin-4-amine?
The canonical SMILES for N-[2-[7-(fluoromethoxy)-2-methylindol-1-yl]ethyl]pyrimidin-4-amine is Cc1cc2cccc(OCF)c2n1CCNc1ccncn1.
What is the InChIKey of N-[2-[7-(fluoromethoxy)-2-methylindol-1-yl]ethyl]pyrimidin-4-amine?
The InChIKey is HSANROQRXYCSJX-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17FN4O/c1-12-9-13-3-2-4-14(22-10-17)16(13)21(12)8-7-19-15-5-6-18-11-20-15/h2-6,9,11H,7-8,10H2,1H3,(H,18,19,20).
What are the key properties of N-[2-[7-(fluoromethoxy)-2-methylindol-1-yl]ethyl]pyrimidin-4-amine?
N-[2-[7-(fluoromethoxy)-2-methylindol-1-yl]ethyl]pyrimidin-4-amine has a molecular weight of 300.34 g/mol, XLogP of 3.16, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[7-(fluoromethoxy)-2-methylindol-1-yl]ethyl]pyrimidin-4-amine is sourced from PubChem (CID 135333812), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).