2-ethyl-4-N-isoquinolin-8-yl-5-methylpyrimidine-4,6-diamine

C16H17N5 — CID 80992137

IUPAC2-ethyl-4-N-isoquinolin-8-yl-5-methylpyrimidine-4,6-diamine
SMILESCCc1nc(N)c(C)c(Nc2cccc3ccncc23)n1
InChIInChI=1S/C16H17N5/c1-3-14-20-15(17)10(2)16(21-14)19-13-6-4-5-11-7-8-18-9-12(11)13/h4-9H,3H2,1-2H3,(H3,17,19,20,21)
InChIKeyXBTKIDCLOBPSDD-UHFFFAOYSA-N
MW279.35 g/mol
LogP3.22
Rot. Bonds3

About 2-ethyl-4-N-isoquinolin-8-yl-5-methylpyrimidine-4,6-diamine

2-ethyl-4-N-isoquinolin-8-yl-5-methylpyrimidine-4,6-diamine (PubChem CID 80992137) has the molecular formula C16H17N5 and a molecular weight of 279.35 g/mol. Its IUPAC name is 2-ethyl-4-N-isoquinolin-8-yl-5-methylpyrimidine-4,6-diamine.

Molecular Properties

Compound Name2-ethyl-4-N-isoquinolin-8-yl-5-methylpyrimidine-4,6-diamine
PubChem CID80992137
Molecular FormulaC16H17N5
Molecular Weight279.35 g/mol
Exact Mass279.15
IUPAC Name2-ethyl-4-N-isoquinolin-8-yl-5-methylpyrimidine-4,6-diamine
SMILESCCc1nc(N)c(C)c(Nc2cccc3ccncc23)n1
InChIInChI=1S/C16H17N5/c1-3-14-20-15(17)10(2)16(21-14)19-13-6-4-5-11-7-8-18-9-12(11)13/h4-9H,3H2,1-2H3,(H3,17,19,20,21)
InChIKeyXBTKIDCLOBPSDD-UHFFFAOYSA-N
XLogP3.22
TPSA76.72 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.35
LogP ≤ 53.22
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

2-ethyl-6-isoquinolin-8-yl-5-methylpyrimidin-4-amine
CID 103144327
N-(6-hydrazinyl-2,5-dimethylpyrimidin-4-yl)isoquinolin-8-amine
CID 80930024
6-chloro-2-N-isoquinolin-8-ylpyridine-2,3-diamine
CID 115474338
2-ethyl-4-N-(3-fluorophenyl)-5-methylpyrimidine-4,6-diamine
CID 80976619
4-N-(2-bromo-5-methylphenyl)-2-ethyl-5-methylpyrimidine-4,6-diamine
CID 82758799
4-N-isoquinolin-8-yl-2-methylpyrimidine-4,6-diamine
CID 80851740
4-N-(2,5-difluorophenyl)-2-ethyl-5-methylpyrimidine-4,6-diamine
CID 80976181
4-N-(4-bromo-2-chlorophenyl)-2-ethyl-5-methylpyrimidine-4,6-diamine
CID 80994019
4-N-(4-tert-butylphenyl)-2-ethyl-5-methylpyrimidine-4,6-diamine
CID 80976908
4-N-isoquinolin-5-yl-5-methylpyrimidine-2,4-diamine
CID 80789594
4-N-(2,5-dimethoxyphenyl)-2-ethyl-5-methylpyrimidine-4,6-diamine
CID 80976368
2-ethyl-5,6-dimethyl-N-naphthalen-1-ylthieno[2,3-d]pyrimidin-4-amine
CID 91965458

Frequently Asked Questions

What is the IUPAC name of 2-ethyl-4-N-isoquinolin-8-yl-5-methylpyrimidine-4,6-diamine?
The IUPAC name of 2-ethyl-4-N-isoquinolin-8-yl-5-methylpyrimidine-4,6-diamine (CID 80992137) is 2-ethyl-4-N-isoquinolin-8-yl-5-methylpyrimidine-4,6-diamine.
What is the SMILES notation for 2-ethyl-4-N-isoquinolin-8-yl-5-methylpyrimidine-4,6-diamine?
The canonical SMILES for 2-ethyl-4-N-isoquinolin-8-yl-5-methylpyrimidine-4,6-diamine is CCc1nc(N)c(C)c(Nc2cccc3ccncc23)n1.
What is the InChIKey of 2-ethyl-4-N-isoquinolin-8-yl-5-methylpyrimidine-4,6-diamine?
The InChIKey is XBTKIDCLOBPSDD-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17N5/c1-3-14-20-15(17)10(2)16(21-14)19-13-6-4-5-11-7-8-18-9-12(11)13/h4-9H,3H2,1-2H3,(H3,17,19,20,21).
What are the key properties of 2-ethyl-4-N-isoquinolin-8-yl-5-methylpyrimidine-4,6-diamine?
2-ethyl-4-N-isoquinolin-8-yl-5-methylpyrimidine-4,6-diamine has a molecular weight of 279.35 g/mol, XLogP of 3.22, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethyl-4-N-isoquinolin-8-yl-5-methylpyrimidine-4,6-diamine is sourced from PubChem (CID 80992137), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).