6-chloro-N-[2-(7-chloro-3-methoxy-2-methylindol-1-yl)ethyl]pyrimidin-4-amine

C16H16Cl2N4O — CID 135333904

IUPAC6-chloro-N-[2-(7-chloro-3-methoxy-2-methylindol-1-yl)ethyl]pyrimidin-4-amine
SMILESCOc1c(C)n(CCNc2cc(Cl)ncn2)c2c(Cl)cccc12
InChIInChI=1S/C16H16Cl2N4O/c1-10-16(23-2)11-4-3-5-12(17)15(11)22(10)7-6-19-14-8-13(18)20-9-21-14/h3-5,8-9H,6-7H2,1-2H3,(H,19,20,21)
InChIKeyOIJCFQYCWJEDGF-UHFFFAOYSA-N
MW351.24 g/mol
LogP4.17
Rot. Bonds5

About 6-chloro-N-[2-(7-chloro-3-methoxy-2-methylindol-1-yl)ethyl]pyrimidin-4-amine

6-chloro-N-[2-(7-chloro-3-methoxy-2-methylindol-1-yl)ethyl]pyrimidin-4-amine (PubChem CID 135333904) has the molecular formula C16H16Cl2N4O and a molecular weight of 351.24 g/mol. Its IUPAC name is 6-chloro-N-[2-(7-chloro-3-methoxy-2-methylindol-1-yl)ethyl]pyrimidin-4-amine.

Molecular Properties

Compound Name6-chloro-N-[2-(7-chloro-3-methoxy-2-methylindol-1-yl)ethyl]pyrimidin-4-amine
PubChem CID135333904
Molecular FormulaC16H16Cl2N4O
Molecular Weight351.24 g/mol
Exact Mass350.07
IUPAC Name6-chloro-N-[2-(7-chloro-3-methoxy-2-methylindol-1-yl)ethyl]pyrimidin-4-amine
SMILESCOc1c(C)n(CCNc2cc(Cl)ncn2)c2c(Cl)cccc12
InChIInChI=1S/C16H16Cl2N4O/c1-10-16(23-2)11-4-3-5-12(17)15(11)22(10)7-6-19-14-8-13(18)20-9-21-14/h3-5,8-9H,6-7H2,1-2H3,(H,19,20,21)
InChIKeyOIJCFQYCWJEDGF-UHFFFAOYSA-N
XLogP4.17
TPSA51.97 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500351.24
LogP ≤ 54.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 6-chloro-N-[2-(7-chloro-3-methoxy-2-methylindol-1-yl)ethyl]pyrimidin-4-amine?
The IUPAC name of 6-chloro-N-[2-(7-chloro-3-methoxy-2-methylindol-1-yl)ethyl]pyrimidin-4-amine (CID 135333904) is 6-chloro-N-[2-(7-chloro-3-methoxy-2-methylindol-1-yl)ethyl]pyrimidin-4-amine.
What is the SMILES notation for 6-chloro-N-[2-(7-chloro-3-methoxy-2-methylindol-1-yl)ethyl]pyrimidin-4-amine?
The canonical SMILES for 6-chloro-N-[2-(7-chloro-3-methoxy-2-methylindol-1-yl)ethyl]pyrimidin-4-amine is COc1c(C)n(CCNc2cc(Cl)ncn2)c2c(Cl)cccc12.
What is the InChIKey of 6-chloro-N-[2-(7-chloro-3-methoxy-2-methylindol-1-yl)ethyl]pyrimidin-4-amine?
The InChIKey is OIJCFQYCWJEDGF-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16Cl2N4O/c1-10-16(23-2)11-4-3-5-12(17)15(11)22(10)7-6-19-14-8-13(18)20-9-21-14/h3-5,8-9H,6-7H2,1-2H3,(H,19,20,21).
What are the key properties of 6-chloro-N-[2-(7-chloro-3-methoxy-2-methylindol-1-yl)ethyl]pyrimidin-4-amine?
6-chloro-N-[2-(7-chloro-3-methoxy-2-methylindol-1-yl)ethyl]pyrimidin-4-amine has a molecular weight of 351.24 g/mol, XLogP of 4.17, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-chloro-N-[2-(7-chloro-3-methoxy-2-methylindol-1-yl)ethyl]pyrimidin-4-amine is sourced from PubChem (CID 135333904), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).