6-chloro-4-N-methyl-2-N-(2-phenylethyl)quinazoline-2,4-diamine

C17H17ClN4 — CID 138683091

IUPAC6-chloro-4-N-methyl-2-N-(2-phenylethyl)quinazoline-2,4-diamine
SMILESCNc1nc(NCCc2ccccc2)nc2ccc(Cl)cc12
InChIInChI=1S/C17H17ClN4/c1-19-16-14-11-13(18)7-8-15(14)21-17(22-16)20-10-9-12-5-3-2-4-6-12/h2-8,11H,9-10H2,1H3,(H2,19,20,21,22)
InChIKeyUIDMGEVINLQVRG-UHFFFAOYSA-N
MW312.80 g/mol
LogP3.98
Rot. Bonds5

About 6-chloro-4-N-methyl-2-N-(2-phenylethyl)quinazoline-2,4-diamine

6-chloro-4-N-methyl-2-N-(2-phenylethyl)quinazoline-2,4-diamine (PubChem CID 138683091) has the molecular formula C17H17ClN4 and a molecular weight of 312.80 g/mol. Its IUPAC name is 6-chloro-4-N-methyl-2-N-(2-phenylethyl)quinazoline-2,4-diamine.

Molecular Properties

Compound Name6-chloro-4-N-methyl-2-N-(2-phenylethyl)quinazoline-2,4-diamine
PubChem CID138683091
Molecular FormulaC17H17ClN4
Molecular Weight312.80 g/mol
Exact Mass312.11
IUPAC Name6-chloro-4-N-methyl-2-N-(2-phenylethyl)quinazoline-2,4-diamine
SMILESCNc1nc(NCCc2ccccc2)nc2ccc(Cl)cc12
InChIInChI=1S/C17H17ClN4/c1-19-16-14-11-13(18)7-8-15(14)21-17(22-16)20-10-9-12-5-3-2-4-6-12/h2-8,11H,9-10H2,1H3,(H2,19,20,21,22)
InChIKeyUIDMGEVINLQVRG-UHFFFAOYSA-N
XLogP3.98
TPSA49.84 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.80
LogP ≤ 53.98
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 6-chloro-4-N-methyl-2-N-(2-phenylethyl)quinazoline-2,4-diamine?
The IUPAC name of 6-chloro-4-N-methyl-2-N-(2-phenylethyl)quinazoline-2,4-diamine (CID 138683091) is 6-chloro-4-N-methyl-2-N-(2-phenylethyl)quinazoline-2,4-diamine.
What is the SMILES notation for 6-chloro-4-N-methyl-2-N-(2-phenylethyl)quinazoline-2,4-diamine?
The canonical SMILES for 6-chloro-4-N-methyl-2-N-(2-phenylethyl)quinazoline-2,4-diamine is CNc1nc(NCCc2ccccc2)nc2ccc(Cl)cc12.
What is the InChIKey of 6-chloro-4-N-methyl-2-N-(2-phenylethyl)quinazoline-2,4-diamine?
The InChIKey is UIDMGEVINLQVRG-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17ClN4/c1-19-16-14-11-13(18)7-8-15(14)21-17(22-16)20-10-9-12-5-3-2-4-6-12/h2-8,11H,9-10H2,1H3,(H2,19,20,21,22).
What are the key properties of 6-chloro-4-N-methyl-2-N-(2-phenylethyl)quinazoline-2,4-diamine?
6-chloro-4-N-methyl-2-N-(2-phenylethyl)quinazoline-2,4-diamine has a molecular weight of 312.80 g/mol, XLogP of 3.98, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-chloro-4-N-methyl-2-N-(2-phenylethyl)quinazoline-2,4-diamine is sourced from PubChem (CID 138683091), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).