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

C16H16ClFN4O — CID 175702346

IUPACN-[2-(6-chloro-7-fluoro-4-methoxy-2-methylindol-1-yl)ethyl]pyrimidin-4-amine
SMILESCOc1cc(Cl)c(F)c2c1cc(C)n2CCNc1ccncn1
InChIInChI=1S/C16H16ClFN4O/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)
InChIKeyJTZTVPBYKHDOIQ-UHFFFAOYSA-N
MW334.78 g/mol
LogP3.65
Rot. Bonds5

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

N-[2-(6-chloro-7-fluoro-4-methoxy-2-methylindol-1-yl)ethyl]pyrimidin-4-amine (PubChem CID 175702346) has the molecular formula C16H16ClFN4O and a molecular weight of 334.78 g/mol. Its IUPAC name is N-[2-(6-chloro-7-fluoro-4-methoxy-2-methylindol-1-yl)ethyl]pyrimidin-4-amine.

Molecular Properties

Compound NameN-[2-(6-chloro-7-fluoro-4-methoxy-2-methylindol-1-yl)ethyl]pyrimidin-4-amine
PubChem CID175702346
Molecular FormulaC16H16ClFN4O
Molecular Weight334.78 g/mol
Exact Mass334.10
IUPAC NameN-[2-(6-chloro-7-fluoro-4-methoxy-2-methylindol-1-yl)ethyl]pyrimidin-4-amine
SMILESCOc1cc(Cl)c(F)c2c1cc(C)n2CCNc1ccncn1
InChIInChI=1S/C16H16ClFN4O/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)
InChIKeyJTZTVPBYKHDOIQ-UHFFFAOYSA-N
XLogP3.65
TPSA51.97 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500334.78
LogP ≤ 53.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2-amino-N-cyclobutyl-4-[2,4-dichloro-6-(4,4,4-trifluorobutoxy)phenyl]pyrrolo[3,4-d]pyrimidine-6-carboxamide
CID 51049657
9-methoxy-4-(piperidin-1-yl)-5H-pyrimido[5,4-b]indole
CID 663380
9-methoxy-4-(3-methylpiperidin-1-yl)-5H-pyrimido[5,4-b]indole
CID 663629
9-methoxy-4-(4-methylpiperidin-1-yl)-5H-pyrimido[5,4-b]indole
CID 663797
(5-(4-Chlorophenyl)-2-(2-methoxyphenyl)-7-methylimidazo[1,2-a]pyrimidin-6-yl)methanamine
CID 11653749
(5-(4-Chloro-3-fluorophenyl)-2-(2-methoxyphenyl)-7-methylimidazo[1,2-a]pyrimidin-6-yl)methanamine
CID 11696912
2-(4-{[3-chloro-4-(1H-indol-4-yloxy)phenyl]amino}-5H-pyrrolo[3,2-d]pyrimidin-5-yl)ethanol
CID 25025888
4-(3-Chloro-4-fluoroanilino)-5-(1-methylpiperidin-4-yloxy)quinazoline
CID 44409208
N-(3-chloro-2-fluorophenyl)-7-methoxy-6-(pyrrolidin-1-ylmethyl)quinazolin-4-amine
CID 44410844
4-(4-methoxy-1H-indol-3-yl)pyrimidin-2-amine
CID 53381002
2-N-[2-[(7-chloroquinolin-4-yl)amino]ethyl]-4-N-(3,5-dimethoxyphenyl)pyrimidine-2,4-diamine
CID 117827349
2-N-[2-[(7-chloroquinolin-4-yl)amino]ethyl]-4-N-(4-methoxyphenyl)pyrimidine-2,4-diamine
CID 117827358

Frequently Asked Questions

What is the IUPAC name of N-[2-(6-chloro-7-fluoro-4-methoxy-2-methylindol-1-yl)ethyl]pyrimidin-4-amine?
The IUPAC name of N-[2-(6-chloro-7-fluoro-4-methoxy-2-methylindol-1-yl)ethyl]pyrimidin-4-amine (CID 175702346) is N-[2-(6-chloro-7-fluoro-4-methoxy-2-methylindol-1-yl)ethyl]pyrimidin-4-amine.
What is the SMILES notation for N-[2-(6-chloro-7-fluoro-4-methoxy-2-methylindol-1-yl)ethyl]pyrimidin-4-amine?
The canonical SMILES for N-[2-(6-chloro-7-fluoro-4-methoxy-2-methylindol-1-yl)ethyl]pyrimidin-4-amine is COc1cc(Cl)c(F)c2c1cc(C)n2CCNc1ccncn1.
What is the InChIKey of N-[2-(6-chloro-7-fluoro-4-methoxy-2-methylindol-1-yl)ethyl]pyrimidin-4-amine?
The InChIKey is JTZTVPBYKHDOIQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16ClFN4O/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-chloro-7-fluoro-4-methoxy-2-methylindol-1-yl)ethyl]pyrimidin-4-amine?
N-[2-(6-chloro-7-fluoro-4-methoxy-2-methylindol-1-yl)ethyl]pyrimidin-4-amine has a molecular weight of 334.78 g/mol, XLogP of 3.65, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(6-chloro-7-fluoro-4-methoxy-2-methylindol-1-yl)ethyl]pyrimidin-4-amine is sourced from PubChem (CID 175702346), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).