2,4-diamino-5-[3-(dimethylamino)phenyl]quinazoline-6-carboxylic acid

C17H17N5O2 — CID 69175213

IUPAC2,4-diamino-5-[3-(dimethylamino)phenyl]quinazoline-6-carboxylic acid
SMILESCN(C)c1cccc(-c2c(C(=O)O)ccc3nc(N)nc(N)c23)c1
InChIInChI=1S/C17H17N5O2/c1-22(2)10-5-3-4-9(8-10)13-11(16(23)24)6-7-12-14(13)15(18)21-17(19)20-12/h3-8H,1-2H3,(H,23,24)(H4,18,19,20,21)
InChIKeySNOAIGUYAKHUQD-UHFFFAOYSA-N
MW323.36 g/mol
LogP2.23
Rot. Bonds3

About 2,4-diamino-5-[3-(dimethylamino)phenyl]quinazoline-6-carboxylic acid

2,4-diamino-5-[3-(dimethylamino)phenyl]quinazoline-6-carboxylic acid (PubChem CID 69175213) has the molecular formula C17H17N5O2 and a molecular weight of 323.36 g/mol. Its IUPAC name is 2,4-diamino-5-[3-(dimethylamino)phenyl]quinazoline-6-carboxylic acid.

Molecular Properties

Compound Name2,4-diamino-5-[3-(dimethylamino)phenyl]quinazoline-6-carboxylic acid
PubChem CID69175213
Molecular FormulaC17H17N5O2
Molecular Weight323.36 g/mol
Exact Mass323.14
IUPAC Name2,4-diamino-5-[3-(dimethylamino)phenyl]quinazoline-6-carboxylic acid
SMILESCN(C)c1cccc(-c2c(C(=O)O)ccc3nc(N)nc(N)c23)c1
InChIInChI=1S/C17H17N5O2/c1-22(2)10-5-3-4-9(8-10)13-11(16(23)24)6-7-12-14(13)15(18)21-17(19)20-12/h3-8H,1-2H3,(H,23,24)(H4,18,19,20,21)
InChIKeySNOAIGUYAKHUQD-UHFFFAOYSA-N
XLogP2.23
TPSA118.36 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500323.36
LogP ≤ 52.23
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2,4-diamino-5-[3-(dimethylamino)phenyl]quinazoline-6-carboxylic acid?
The IUPAC name of 2,4-diamino-5-[3-(dimethylamino)phenyl]quinazoline-6-carboxylic acid (CID 69175213) is 2,4-diamino-5-[3-(dimethylamino)phenyl]quinazoline-6-carboxylic acid.
What is the SMILES notation for 2,4-diamino-5-[3-(dimethylamino)phenyl]quinazoline-6-carboxylic acid?
The canonical SMILES for 2,4-diamino-5-[3-(dimethylamino)phenyl]quinazoline-6-carboxylic acid is CN(C)c1cccc(-c2c(C(=O)O)ccc3nc(N)nc(N)c23)c1.
What is the InChIKey of 2,4-diamino-5-[3-(dimethylamino)phenyl]quinazoline-6-carboxylic acid?
The InChIKey is SNOAIGUYAKHUQD-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17N5O2/c1-22(2)10-5-3-4-9(8-10)13-11(16(23)24)6-7-12-14(13)15(18)21-17(19)20-12/h3-8H,1-2H3,(H,23,24)(H4,18,19,20,21).
What are the key properties of 2,4-diamino-5-[3-(dimethylamino)phenyl]quinazoline-6-carboxylic acid?
2,4-diamino-5-[3-(dimethylamino)phenyl]quinazoline-6-carboxylic acid has a molecular weight of 323.36 g/mol, XLogP of 2.23, 3 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2,4-diamino-5-[3-(dimethylamino)phenyl]quinazoline-6-carboxylic acid is sourced from PubChem (CID 69175213), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).