N-[2-(6,7-difluoro-4-methoxy-2-methylindol-1-yl)ethyl]pyrimidin-4-amine

C16H16F2N4O — CID 175702369

IUPACN-[2-(6,7-difluoro-4-methoxy-2-methylindol-1-yl)ethyl]pyrimidin-4-amine
SMILESCOc1cc(F)c(F)c2c1cc(C)n2CCNc1ccncn1
InChIInChI=1S/C16H16F2N4O/c1-10-7-11-13(23-2)8-12(17)15(18)16(11)22(10)6-5-20-14-3-4-19-9-21-14/h3-4,7-9H,5-6H2,1-2H3,(H,19,20,21)
InChIKeyAJWOADWOYMESCT-UHFFFAOYSA-N
MW318.33 g/mol
LogP3.14
Rot. Bonds5

About N-[2-(6,7-difluoro-4-methoxy-2-methylindol-1-yl)ethyl]pyrimidin-4-amine

N-[2-(6,7-difluoro-4-methoxy-2-methylindol-1-yl)ethyl]pyrimidin-4-amine (PubChem CID 175702369) has the molecular formula C16H16F2N4O and a molecular weight of 318.33 g/mol. Its IUPAC name is N-[2-(6,7-difluoro-4-methoxy-2-methylindol-1-yl)ethyl]pyrimidin-4-amine.

Molecular Properties

Compound NameN-[2-(6,7-difluoro-4-methoxy-2-methylindol-1-yl)ethyl]pyrimidin-4-amine
PubChem CID175702369
Molecular FormulaC16H16F2N4O
Molecular Weight318.33 g/mol
Exact Mass318.13
IUPAC NameN-[2-(6,7-difluoro-4-methoxy-2-methylindol-1-yl)ethyl]pyrimidin-4-amine
SMILESCOc1cc(F)c(F)c2c1cc(C)n2CCNc1ccncn1
InChIInChI=1S/C16H16F2N4O/c1-10-7-11-13(23-2)8-12(17)15(18)16(11)22(10)6-5-20-14-3-4-19-9-21-14/h3-4,7-9H,5-6H2,1-2H3,(H,19,20,21)
InChIKeyAJWOADWOYMESCT-UHFFFAOYSA-N
XLogP3.14
TPSA51.97 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500318.33
LogP ≤ 53.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2-chloro-N-[2-(6,7-difluoro-4-methoxy-2-methylindol-1-yl)ethyl]-3-fluoropyridin-4-amine
CID 156711318
N-[2-[7-(fluoromethoxy)-2-methylindol-1-yl]ethyl]pyrimidin-4-amine
CID 135333812
2-chloro-4-[6-[2-(6,7-difluoro-4-methoxy-2-methylindol-1-yl)ethylamino]pyrimidin-4-yl]-6-propoxybenzoic acid
CID 156759853
N-[2-(7-fluoro-4-methoxy-2-methylindol-1-yl)ethyl]-6-quinolin-6-ylpyrimidin-4-amine
CID 135333261
methyl 5-[4-[2-(6,7-difluoro-4-methoxy-2-methylindol-1-yl)ethylamino]-2-pyridinyl]-3-ethoxythiophene-2-carboxylate
CID 156711338
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
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-(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
6-[2-(7-fluoro-4-methoxy-2-methylindol-1-yl)ethylamino]-2-methylpyrimidine-4-carboxylic acid
CID 145311600
N-[2-(7-fluoro-4-methoxy-2-methylindol-1-yl)ethyl]-6-(2-methyl-1,3-benzoxazol-6-yl)pyrimidin-4-amine
CID 156759916
5-[4-[6-[2-(6,7-difluoro-2,4-dimethylindol-1-yl)ethylamino]pyrimidin-4-yl]phenyl]-1,3-oxazol-2-amine
CID 171991019

Frequently Asked Questions

What is the IUPAC name of N-[2-(6,7-difluoro-4-methoxy-2-methylindol-1-yl)ethyl]pyrimidin-4-amine?
The IUPAC name of N-[2-(6,7-difluoro-4-methoxy-2-methylindol-1-yl)ethyl]pyrimidin-4-amine (CID 175702369) is N-[2-(6,7-difluoro-4-methoxy-2-methylindol-1-yl)ethyl]pyrimidin-4-amine.
What is the SMILES notation for N-[2-(6,7-difluoro-4-methoxy-2-methylindol-1-yl)ethyl]pyrimidin-4-amine?
The canonical SMILES for N-[2-(6,7-difluoro-4-methoxy-2-methylindol-1-yl)ethyl]pyrimidin-4-amine is COc1cc(F)c(F)c2c1cc(C)n2CCNc1ccncn1.
What is the InChIKey of N-[2-(6,7-difluoro-4-methoxy-2-methylindol-1-yl)ethyl]pyrimidin-4-amine?
The InChIKey is AJWOADWOYMESCT-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16F2N4O/c1-10-7-11-13(23-2)8-12(17)15(18)16(11)22(10)6-5-20-14-3-4-19-9-21-14/h3-4,7-9H,5-6H2,1-2H3,(H,19,20,21).
What are the key properties of N-[2-(6,7-difluoro-4-methoxy-2-methylindol-1-yl)ethyl]pyrimidin-4-amine?
N-[2-(6,7-difluoro-4-methoxy-2-methylindol-1-yl)ethyl]pyrimidin-4-amine has a molecular weight of 318.33 g/mol, XLogP of 3.14, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(6,7-difluoro-4-methoxy-2-methylindol-1-yl)ethyl]pyrimidin-4-amine is sourced from PubChem (CID 175702369), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).