2-N-ethyl-4-N-(2-methyl-3-methylsulfanylpropyl)quinazoline-2,4-diamine

C15H22N4S — CID 80839910

IUPAC2-N-ethyl-4-N-(2-methyl-3-methylsulfanylpropyl)quinazoline-2,4-diamine
SMILESCCNc1nc(NCC(C)CSC)c2ccccc2n1
InChIInChI=1S/C15H22N4S/c1-4-16-15-18-13-8-6-5-7-12(13)14(19-15)17-9-11(2)10-20-3/h5-8,11H,4,9-10H2,1-3H3,(H2,16,17,18,19)
InChIKeyKXESZQYNBSEVGH-UHFFFAOYSA-N
MW290.44 g/mol
LogP3.47
Rot. Bonds7

About 2-N-ethyl-4-N-(2-methyl-3-methylsulfanylpropyl)quinazoline-2,4-diamine

2-N-ethyl-4-N-(2-methyl-3-methylsulfanylpropyl)quinazoline-2,4-diamine (PubChem CID 80839910) has the molecular formula C15H22N4S and a molecular weight of 290.44 g/mol. Its IUPAC name is 2-N-ethyl-4-N-(2-methyl-3-methylsulfanylpropyl)quinazoline-2,4-diamine.

Molecular Properties

Compound Name2-N-ethyl-4-N-(2-methyl-3-methylsulfanylpropyl)quinazoline-2,4-diamine
PubChem CID80839910
Molecular FormulaC15H22N4S
Molecular Weight290.44 g/mol
Exact Mass290.16
IUPAC Name2-N-ethyl-4-N-(2-methyl-3-methylsulfanylpropyl)quinazoline-2,4-diamine
SMILESCCNc1nc(NCC(C)CSC)c2ccccc2n1
InChIInChI=1S/C15H22N4S/c1-4-16-15-18-13-8-6-5-7-12(13)14(19-15)17-9-11(2)10-20-3/h5-8,11H,4,9-10H2,1-3H3,(H2,16,17,18,19)
InChIKeyKXESZQYNBSEVGH-UHFFFAOYSA-N
XLogP3.47
TPSA49.84 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.44
LogP ≤ 53.47
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

2-N-ethyl-4-N-(4-methylpentyl)quinazoline-2,4-diamine
CID 80831170
2-N-ethyl-4-N-(4-methylhexan-2-yl)quinazoline-2,4-diamine
CID 80829920
2-N-ethyl-4-N-pentan-2-ylquinazoline-2,4-diamine
CID 80770804
2-N-methyl-4-N-(2-methylpropyl)quinazoline-2,4-diamine
CID 80770166
4-N-(cyclopropylmethyl)-2-N-ethylquinazoline-2,4-diamine
CID 80770778
5-chloro-2-N-ethyl-4-N-(2-methyl-3-methylsulfanylpropyl)pyrimidine-2,4-diamine
CID 80838637
4-N-(2-ethoxyethyl)-2-N-ethylquinazoline-2,4-diamine
CID 80793590
4-[(2-hydrazinylquinazolin-4-yl)amino]-3-methylbutan-1-ol
CID 80922127
N-(2-methyl-3-methylsulfanylpropyl)phthalazin-1-amine
CID 63966800
4-N-cyclopropyl-2-N-ethylquinazoline-2,4-diamine
CID 80769963
methyl 2-[[2-(ethylamino)quinazolin-4-yl]amino]acetate
CID 80777540
2-N-ethyl-4-N-(3-methoxypropyl)quinazoline-2,4-diamine
CID 80771309

Frequently Asked Questions

What is the IUPAC name of 2-N-ethyl-4-N-(2-methyl-3-methylsulfanylpropyl)quinazoline-2,4-diamine?
The IUPAC name of 2-N-ethyl-4-N-(2-methyl-3-methylsulfanylpropyl)quinazoline-2,4-diamine (CID 80839910) is 2-N-ethyl-4-N-(2-methyl-3-methylsulfanylpropyl)quinazoline-2,4-diamine.
What is the SMILES notation for 2-N-ethyl-4-N-(2-methyl-3-methylsulfanylpropyl)quinazoline-2,4-diamine?
The canonical SMILES for 2-N-ethyl-4-N-(2-methyl-3-methylsulfanylpropyl)quinazoline-2,4-diamine is CCNc1nc(NCC(C)CSC)c2ccccc2n1.
What is the InChIKey of 2-N-ethyl-4-N-(2-methyl-3-methylsulfanylpropyl)quinazoline-2,4-diamine?
The InChIKey is KXESZQYNBSEVGH-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22N4S/c1-4-16-15-18-13-8-6-5-7-12(13)14(19-15)17-9-11(2)10-20-3/h5-8,11H,4,9-10H2,1-3H3,(H2,16,17,18,19).
What are the key properties of 2-N-ethyl-4-N-(2-methyl-3-methylsulfanylpropyl)quinazoline-2,4-diamine?
2-N-ethyl-4-N-(2-methyl-3-methylsulfanylpropyl)quinazoline-2,4-diamine has a molecular weight of 290.44 g/mol, XLogP of 3.47, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-N-ethyl-4-N-(2-methyl-3-methylsulfanylpropyl)quinazoline-2,4-diamine is sourced from PubChem (CID 80839910), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).