2,4-diamino-N,N-dipropylquinazoline-6-sulfonamide

C14H21N5O2S — CID 13413775

IUPAC2,4-diamino-N,N-dipropylquinazoline-6-sulfonamide
SMILESCCCN(CCC)S(=O)(=O)c1ccc2nc(N)nc(N)c2c1
InChIInChI=1S/C14H21N5O2S/c1-3-7-19(8-4-2)22(20,21)10-5-6-12-11(9-10)13(15)18-14(16)17-12/h5-6,9H,3-4,7-8H2,1-2H3,(H4,15,16,17,18)
InChIKeyONDIFFMSUPVKGY-UHFFFAOYSA-N
MW323.42 g/mol
LogP1.60
Rot. Bonds6

About 2,4-diamino-N,N-dipropylquinazoline-6-sulfonamide

2,4-diamino-N,N-dipropylquinazoline-6-sulfonamide (PubChem CID 13413775) has the molecular formula C14H21N5O2S and a molecular weight of 323.42 g/mol. Its IUPAC name is 2,4-diamino-N,N-dipropylquinazoline-6-sulfonamide.

Molecular Properties

Compound Name2,4-diamino-N,N-dipropylquinazoline-6-sulfonamide
PubChem CID13413775
Molecular FormulaC14H21N5O2S
Molecular Weight323.42 g/mol
Exact Mass323.14
IUPAC Name2,4-diamino-N,N-dipropylquinazoline-6-sulfonamide
SMILESCCCN(CCC)S(=O)(=O)c1ccc2nc(N)nc(N)c2c1
InChIInChI=1S/C14H21N5O2S/c1-3-7-19(8-4-2)22(20,21)10-5-6-12-11(9-10)13(15)18-14(16)17-12/h5-6,9H,3-4,7-8H2,1-2H3,(H4,15,16,17,18)
InChIKeyONDIFFMSUPVKGY-UHFFFAOYSA-N
XLogP1.60
TPSA115.20 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500323.42
LogP ≤ 51.60
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2,4-diamino-N,N-dipropylquinazoline-6-sulfonamide?
The IUPAC name of 2,4-diamino-N,N-dipropylquinazoline-6-sulfonamide (CID 13413775) is 2,4-diamino-N,N-dipropylquinazoline-6-sulfonamide.
What is the SMILES notation for 2,4-diamino-N,N-dipropylquinazoline-6-sulfonamide?
The canonical SMILES for 2,4-diamino-N,N-dipropylquinazoline-6-sulfonamide is CCCN(CCC)S(=O)(=O)c1ccc2nc(N)nc(N)c2c1.
What is the InChIKey of 2,4-diamino-N,N-dipropylquinazoline-6-sulfonamide?
The InChIKey is ONDIFFMSUPVKGY-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21N5O2S/c1-3-7-19(8-4-2)22(20,21)10-5-6-12-11(9-10)13(15)18-14(16)17-12/h5-6,9H,3-4,7-8H2,1-2H3,(H4,15,16,17,18).
What are the key properties of 2,4-diamino-N,N-dipropylquinazoline-6-sulfonamide?
2,4-diamino-N,N-dipropylquinazoline-6-sulfonamide has a molecular weight of 323.42 g/mol, XLogP of 1.60, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2,4-diamino-N,N-dipropylquinazoline-6-sulfonamide is sourced from PubChem (CID 13413775), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).