5-chloro-2-N-ethyl-4-N-quinolin-5-ylpyrimidine-2,4-diamine

C15H14ClN5 — CID 80747986

IUPAC5-chloro-2-N-ethyl-4-N-quinolin-5-ylpyrimidine-2,4-diamine
SMILESCCNc1ncc(Cl)c(Nc2cccc3ncccc23)n1
InChIInChI=1S/C15H14ClN5/c1-2-17-15-19-9-11(16)14(21-15)20-13-7-3-6-12-10(13)5-4-8-18-12/h3-9H,2H2,1H3,(H2,17,19,20,21)
InChIKeyKSQARXLSJWYIQD-UHFFFAOYSA-N
MW299.77 g/mol
LogP3.85
Rot. Bonds4

About 5-chloro-2-N-ethyl-4-N-quinolin-5-ylpyrimidine-2,4-diamine

5-chloro-2-N-ethyl-4-N-quinolin-5-ylpyrimidine-2,4-diamine (PubChem CID 80747986) has the molecular formula C15H14ClN5 and a molecular weight of 299.77 g/mol. Its IUPAC name is 5-chloro-2-N-ethyl-4-N-quinolin-5-ylpyrimidine-2,4-diamine.

Molecular Properties

Compound Name5-chloro-2-N-ethyl-4-N-quinolin-5-ylpyrimidine-2,4-diamine
PubChem CID80747986
Molecular FormulaC15H14ClN5
Molecular Weight299.77 g/mol
Exact Mass299.09
IUPAC Name5-chloro-2-N-ethyl-4-N-quinolin-5-ylpyrimidine-2,4-diamine
SMILESCCNc1ncc(Cl)c(Nc2cccc3ncccc23)n1
InChIInChI=1S/C15H14ClN5/c1-2-17-15-19-9-11(16)14(21-15)20-13-7-3-6-12-10(13)5-4-8-18-12/h3-9H,2H2,1H3,(H2,17,19,20,21)
InChIKeyKSQARXLSJWYIQD-UHFFFAOYSA-N
XLogP3.85
TPSA62.73 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.77
LogP ≤ 53.85
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

5-chloro-N-ethyl-4-quinolin-5-yloxypyrimidin-2-amine
CID 103046129
5-chloro-4-N-(2,3-difluorophenyl)-2-N-ethylpyrimidine-2,4-diamine
CID 80797692
5-chloro-2-N-ethyl-4-N-[(3-methyl-2-pyridinyl)methyl]pyrimidine-2,4-diamine
CID 80830405
2-N,5-dimethyl-4-N-quinolin-5-ylpyrimidine-2,4-diamine
CID 80759868
2-N-ethyl-5-methyl-4-N-naphthalen-1-ylpyrimidine-2,4-diamine
CID 66792053
5-chloro-4-N-(2,4-dichlorophenyl)-2-N-ethylpyrimidine-2,4-diamine
CID 80760116
N-ethyl-5-methyl-4-quinolin-5-ylpyrimidin-2-amine
CID 81221672
5-chloro-2-hydrazinyl-N-naphthalen-1-ylpyrimidin-4-amine
CID 80930813
5-chloro-4-N-(2,3-dichlorophenyl)-2-N-propylpyrimidine-2,4-diamine
CID 80754901
4-N-(4-bromo-2,3-dichlorophenyl)-5-chloro-2-N-ethylpyrimidine-2,4-diamine
CID 107794871
4-N-(2-chlorophenyl)-2-N-ethyl-5-methylpyrimidine-2,4-diamine
CID 80760295
5-chloro-2-N-ethyl-4-N-(2,4,5-trifluorophenyl)pyrimidine-2,4-diamine
CID 80824592

Frequently Asked Questions

What is the IUPAC name of 5-chloro-2-N-ethyl-4-N-quinolin-5-ylpyrimidine-2,4-diamine?
The IUPAC name of 5-chloro-2-N-ethyl-4-N-quinolin-5-ylpyrimidine-2,4-diamine (CID 80747986) is 5-chloro-2-N-ethyl-4-N-quinolin-5-ylpyrimidine-2,4-diamine.
What is the SMILES notation for 5-chloro-2-N-ethyl-4-N-quinolin-5-ylpyrimidine-2,4-diamine?
The canonical SMILES for 5-chloro-2-N-ethyl-4-N-quinolin-5-ylpyrimidine-2,4-diamine is CCNc1ncc(Cl)c(Nc2cccc3ncccc23)n1.
What is the InChIKey of 5-chloro-2-N-ethyl-4-N-quinolin-5-ylpyrimidine-2,4-diamine?
The InChIKey is KSQARXLSJWYIQD-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14ClN5/c1-2-17-15-19-9-11(16)14(21-15)20-13-7-3-6-12-10(13)5-4-8-18-12/h3-9H,2H2,1H3,(H2,17,19,20,21).
What are the key properties of 5-chloro-2-N-ethyl-4-N-quinolin-5-ylpyrimidine-2,4-diamine?
5-chloro-2-N-ethyl-4-N-quinolin-5-ylpyrimidine-2,4-diamine has a molecular weight of 299.77 g/mol, XLogP of 3.85, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-2-N-ethyl-4-N-quinolin-5-ylpyrimidine-2,4-diamine is sourced from PubChem (CID 80747986), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).