6-chloro-2-N,2-N-diethyl-4-N,4-N-dimethylquinazoline-2,4-diamine

C14H19ClN4 — CID 15306699

IUPAC6-chloro-2-N,2-N-diethyl-4-N,4-N-dimethylquinazoline-2,4-diamine
SMILESCCN(CC)c1nc(N(C)C)c2cc(Cl)ccc2n1
InChIInChI=1S/C14H19ClN4/c1-5-19(6-2)14-16-12-8-7-10(15)9-11(12)13(17-14)18(3)4/h7-9H,5-6H2,1-4H3
InChIKeyCJFHTHMZJINAFG-UHFFFAOYSA-N
MW278.79 g/mol
LogP3.20
Rot. Bonds4

About 6-chloro-2-N,2-N-diethyl-4-N,4-N-dimethylquinazoline-2,4-diamine

6-chloro-2-N,2-N-diethyl-4-N,4-N-dimethylquinazoline-2,4-diamine (PubChem CID 15306699) has the molecular formula C14H19ClN4 and a molecular weight of 278.79 g/mol. Its IUPAC name is 6-chloro-2-N,2-N-diethyl-4-N,4-N-dimethylquinazoline-2,4-diamine.

Molecular Properties

Compound Name6-chloro-2-N,2-N-diethyl-4-N,4-N-dimethylquinazoline-2,4-diamine
PubChem CID15306699
Molecular FormulaC14H19ClN4
Molecular Weight278.79 g/mol
Exact Mass278.13
IUPAC Name6-chloro-2-N,2-N-diethyl-4-N,4-N-dimethylquinazoline-2,4-diamine
SMILESCCN(CC)c1nc(N(C)C)c2cc(Cl)ccc2n1
InChIInChI=1S/C14H19ClN4/c1-5-19(6-2)14-16-12-8-7-10(15)9-11(12)13(17-14)18(3)4/h7-9H,5-6H2,1-4H3
InChIKeyCJFHTHMZJINAFG-UHFFFAOYSA-N
XLogP3.20
TPSA32.26 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.79
LogP ≤ 53.20
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 6-chloro-2-N,2-N-diethyl-4-N,4-N-dimethylquinazoline-2,4-diamine?
The IUPAC name of 6-chloro-2-N,2-N-diethyl-4-N,4-N-dimethylquinazoline-2,4-diamine (CID 15306699) is 6-chloro-2-N,2-N-diethyl-4-N,4-N-dimethylquinazoline-2,4-diamine.
What is the SMILES notation for 6-chloro-2-N,2-N-diethyl-4-N,4-N-dimethylquinazoline-2,4-diamine?
The canonical SMILES for 6-chloro-2-N,2-N-diethyl-4-N,4-N-dimethylquinazoline-2,4-diamine is CCN(CC)c1nc(N(C)C)c2cc(Cl)ccc2n1.
What is the InChIKey of 6-chloro-2-N,2-N-diethyl-4-N,4-N-dimethylquinazoline-2,4-diamine?
The InChIKey is CJFHTHMZJINAFG-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19ClN4/c1-5-19(6-2)14-16-12-8-7-10(15)9-11(12)13(17-14)18(3)4/h7-9H,5-6H2,1-4H3.
What are the key properties of 6-chloro-2-N,2-N-diethyl-4-N,4-N-dimethylquinazoline-2,4-diamine?
6-chloro-2-N,2-N-diethyl-4-N,4-N-dimethylquinazoline-2,4-diamine has a molecular weight of 278.79 g/mol, XLogP of 3.20, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-chloro-2-N,2-N-diethyl-4-N,4-N-dimethylquinazoline-2,4-diamine is sourced from PubChem (CID 15306699), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).