5-chloro-4-N-(5-chloroquinolin-8-yl)-2-N-methylpyrimidine-2,4-diamine

C14H11Cl2N5 — CID 116785816

IUPAC5-chloro-4-N-(5-chloroquinolin-8-yl)-2-N-methylpyrimidine-2,4-diamine
SMILESCNc1ncc(Cl)c(Nc2ccc(Cl)c3cccnc23)n1
InChIInChI=1S/C14H11Cl2N5/c1-17-14-19-7-10(16)13(21-14)20-11-5-4-9(15)8-3-2-6-18-12(8)11/h2-7H,1H3,(H2,17,19,20,21)
InChIKeyUSPDBBGUGNVRIP-UHFFFAOYSA-N
MW320.18 g/mol
LogP4.12
Rot. Bonds3

About 5-chloro-4-N-(5-chloroquinolin-8-yl)-2-N-methylpyrimidine-2,4-diamine

5-chloro-4-N-(5-chloroquinolin-8-yl)-2-N-methylpyrimidine-2,4-diamine (PubChem CID 116785816) has the molecular formula C14H11Cl2N5 and a molecular weight of 320.18 g/mol. Its IUPAC name is 5-chloro-4-N-(5-chloroquinolin-8-yl)-2-N-methylpyrimidine-2,4-diamine.

Molecular Properties

Compound Name5-chloro-4-N-(5-chloroquinolin-8-yl)-2-N-methylpyrimidine-2,4-diamine
PubChem CID116785816
Molecular FormulaC14H11Cl2N5
Molecular Weight320.18 g/mol
Exact Mass319.04
IUPAC Name5-chloro-4-N-(5-chloroquinolin-8-yl)-2-N-methylpyrimidine-2,4-diamine
SMILESCNc1ncc(Cl)c(Nc2ccc(Cl)c3cccnc23)n1
InChIInChI=1S/C14H11Cl2N5/c1-17-14-19-7-10(16)13(21-14)20-11-5-4-9(15)8-3-2-6-18-12(8)11/h2-7H,1H3,(H2,17,19,20,21)
InChIKeyUSPDBBGUGNVRIP-UHFFFAOYSA-N
XLogP4.12
TPSA62.73 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500320.18
LogP ≤ 54.12
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

5-chloro-N-(2,5-dichloropyrimidin-4-yl)quinolin-8-amine
CID 116785190
2-[(5-chloroquinolin-8-yl)amino]pyridine-3-carbonitrile
CID 116784510
4-N-(2-bromophenyl)-5-chloro-2-N-methylpyrimidine-2,4-diamine
CID 80760837
6-chloro-2-N-(5-chloroquinolin-8-yl)pyridine-2,3-diamine
CID 116783040
5-bromo-4-(5-chloroquinolin-8-yl)oxy-N-methylpyrimidin-2-amine
CID 80866833
2-N-(5-chloroquinolin-8-yl)pyrimidine-2,4-diamine
CID 116797540
4-N-(4-bromo-2-methylphenyl)-5-chloro-2-N-methylpyrimidine-2,4-diamine
CID 80759455
5-chloro-N-(4-chloro-6-methoxy-1,3,5-triazin-2-yl)quinolin-8-amine
CID 116785194
5-chloro-4-N-(2-dimethylphosphanylphenyl)-2-N-quinolin-8-ylpyrimidine-2,4-diamine
CID 164853154
4-N-(5-chloroquinolin-8-yl)-5-ethylpyrimidine-4,6-diamine
CID 116785833
5-chloro-2-N-ethyl-4-N-quinolin-5-ylpyrimidine-2,4-diamine
CID 80747986
5-chloro-4-N-(2-fluoro-5-methylphenyl)-2-N-methylpyrimidine-2,4-diamine
CID 80755789

Frequently Asked Questions

What is the IUPAC name of 5-chloro-4-N-(5-chloroquinolin-8-yl)-2-N-methylpyrimidine-2,4-diamine?
The IUPAC name of 5-chloro-4-N-(5-chloroquinolin-8-yl)-2-N-methylpyrimidine-2,4-diamine (CID 116785816) is 5-chloro-4-N-(5-chloroquinolin-8-yl)-2-N-methylpyrimidine-2,4-diamine.
What is the SMILES notation for 5-chloro-4-N-(5-chloroquinolin-8-yl)-2-N-methylpyrimidine-2,4-diamine?
The canonical SMILES for 5-chloro-4-N-(5-chloroquinolin-8-yl)-2-N-methylpyrimidine-2,4-diamine is CNc1ncc(Cl)c(Nc2ccc(Cl)c3cccnc23)n1.
What is the InChIKey of 5-chloro-4-N-(5-chloroquinolin-8-yl)-2-N-methylpyrimidine-2,4-diamine?
The InChIKey is USPDBBGUGNVRIP-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H11Cl2N5/c1-17-14-19-7-10(16)13(21-14)20-11-5-4-9(15)8-3-2-6-18-12(8)11/h2-7H,1H3,(H2,17,19,20,21).
What are the key properties of 5-chloro-4-N-(5-chloroquinolin-8-yl)-2-N-methylpyrimidine-2,4-diamine?
5-chloro-4-N-(5-chloroquinolin-8-yl)-2-N-methylpyrimidine-2,4-diamine has a molecular weight of 320.18 g/mol, XLogP of 4.12, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-4-N-(5-chloroquinolin-8-yl)-2-N-methylpyrimidine-2,4-diamine is sourced from PubChem (CID 116785816), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).