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

C16H17ClN4O — CID 175702357

IUPACN-[2-(6-chloro-4-methoxy-2-methylindol-1-yl)ethyl]pyrimidin-4-amine
SMILESCOc1cc(Cl)cc2c1cc(C)n2CCNc1ccncn1
InChIInChI=1S/C16H17ClN4O/c1-11-7-13-14(8-12(17)9-15(13)22-2)21(11)6-5-19-16-3-4-18-10-20-16/h3-4,7-10H,5-6H2,1-2H3,(H,18,19,20)
InChIKeyMXFXGXXNEHZRHV-UHFFFAOYSA-N
MW316.79 g/mol
LogP3.51
Rot. Bonds5

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

N-[2-(6-chloro-4-methoxy-2-methylindol-1-yl)ethyl]pyrimidin-4-amine (PubChem CID 175702357) has the molecular formula C16H17ClN4O and a molecular weight of 316.79 g/mol. Its IUPAC name is N-[2-(6-chloro-4-methoxy-2-methylindol-1-yl)ethyl]pyrimidin-4-amine.

Molecular Properties

Compound NameN-[2-(6-chloro-4-methoxy-2-methylindol-1-yl)ethyl]pyrimidin-4-amine
PubChem CID175702357
Molecular FormulaC16H17ClN4O
Molecular Weight316.79 g/mol
Exact Mass316.11
IUPAC NameN-[2-(6-chloro-4-methoxy-2-methylindol-1-yl)ethyl]pyrimidin-4-amine
SMILESCOc1cc(Cl)cc2c1cc(C)n2CCNc1ccncn1
InChIInChI=1S/C16H17ClN4O/c1-11-7-13-14(8-12(17)9-15(13)22-2)21(11)6-5-19-16-3-4-18-10-20-16/h3-4,7-10H,5-6H2,1-2H3,(H,18,19,20)
InChIKeyMXFXGXXNEHZRHV-UHFFFAOYSA-N
XLogP3.51
TPSA51.97 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500316.79
LogP ≤ 53.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

6-Chloro-8-methoxy-3,4-dimethyl-1-(3-methyl-4-pyridinyl)imidazo[1,5-a]quinoxaline
CID 49821714
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
N-(2-chloro-6-methylphenyl)-7-methoxyimidazo[1,5-a]quinoxalin-4-amine
CID 11336689
(5-(3,4-Dichlorophenyl)-2-(2-methoxyphenyl)-7-methylimidazo[1,2-a]pyrimidin-6-yl)methanamine
CID 11524437
(5-(2,4-Dichlorophenyl)-2-(2-methoxyphenyl)-7-methylimidazo[1,2-a]pyrimidin-6-yl)methanamine
CID 11611325
(5-(4-Chlorophenyl)-2-(2-methoxyphenyl)-7-methylimidazo[1,2-a]pyrimidin-6-yl)methanamine
CID 11653749
(2-(2-Methoxyphenyl)-7-methyl-5-(2,4,6-trichlorophenyl)imidazo[1,2-a]pyrimidin-6-yl)methanamine
CID 11655271
(5-(4-Chloro-3-fluorophenyl)-2-(2-methoxyphenyl)-7-methylimidazo[1,2-a]pyrimidin-6-yl)methanamine
CID 11696912
(5-(2,6-Dichlorophenyl)-2-(2-methoxyphenyl)-7-methylimidazo[1,2-a]pyrimidin-6-yl)methanamine
CID 11711314
N-(2-chloro-6-methylphenyl)-8-methoxyimidazo[1,5-a]quinoxalin-4-amine
CID 21994930

Frequently Asked Questions

What is the IUPAC name of N-[2-(6-chloro-4-methoxy-2-methylindol-1-yl)ethyl]pyrimidin-4-amine?
The IUPAC name of N-[2-(6-chloro-4-methoxy-2-methylindol-1-yl)ethyl]pyrimidin-4-amine (CID 175702357) is N-[2-(6-chloro-4-methoxy-2-methylindol-1-yl)ethyl]pyrimidin-4-amine.
What is the SMILES notation for N-[2-(6-chloro-4-methoxy-2-methylindol-1-yl)ethyl]pyrimidin-4-amine?
The canonical SMILES for N-[2-(6-chloro-4-methoxy-2-methylindol-1-yl)ethyl]pyrimidin-4-amine is COc1cc(Cl)cc2c1cc(C)n2CCNc1ccncn1.
What is the InChIKey of N-[2-(6-chloro-4-methoxy-2-methylindol-1-yl)ethyl]pyrimidin-4-amine?
The InChIKey is MXFXGXXNEHZRHV-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17ClN4O/c1-11-7-13-14(8-12(17)9-15(13)22-2)21(11)6-5-19-16-3-4-18-10-20-16/h3-4,7-10H,5-6H2,1-2H3,(H,18,19,20).
What are the key properties of N-[2-(6-chloro-4-methoxy-2-methylindol-1-yl)ethyl]pyrimidin-4-amine?
N-[2-(6-chloro-4-methoxy-2-methylindol-1-yl)ethyl]pyrimidin-4-amine has a molecular weight of 316.79 g/mol, XLogP of 3.51, 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-4-methoxy-2-methylindol-1-yl)ethyl]pyrimidin-4-amine is sourced from PubChem (CID 175702357), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).