2,2-dichloro-N-(2,4-diaminoquinazolin-6-yl)acetamide;ethanol

C12H15Cl2N5O2 — CID 54599627

IUPAC2,2-dichloro-N-(2,4-diaminoquinazolin-6-yl)acetamide;ethanol
SMILESCCO.Nc1nc(N)c2cc(NC(=O)C(Cl)Cl)ccc2n1
InChIInChI=1S/C10H9Cl2N5O.C2H6O/c11-7(12)9(18)15-4-1-2-6-5(3-4)8(13)17-10(14)16-6;1-2-3/h1-3,7H,(H,15,18)(H4,13,14,16,17);3H,2H2,1H3
InChIKeyNQRDHLCHCCLFAP-UHFFFAOYSA-N
MW332.19 g/mol
LogP1.53
Rot. Bonds2

About 2,2-dichloro-N-(2,4-diaminoquinazolin-6-yl)acetamide;ethanol

2,2-dichloro-N-(2,4-diaminoquinazolin-6-yl)acetamide;ethanol (PubChem CID 54599627) has the molecular formula C12H15Cl2N5O2 and a molecular weight of 332.19 g/mol. Its IUPAC name is 2,2-dichloro-N-(2,4-diaminoquinazolin-6-yl)acetamide;ethanol.

Molecular Properties

Compound Name2,2-dichloro-N-(2,4-diaminoquinazolin-6-yl)acetamide;ethanol
PubChem CID54599627
Molecular FormulaC12H15Cl2N5O2
Molecular Weight332.19 g/mol
Exact Mass331.06
IUPAC Name2,2-dichloro-N-(2,4-diaminoquinazolin-6-yl)acetamide;ethanol
SMILESCCO.Nc1nc(N)c2cc(NC(=O)C(Cl)Cl)ccc2n1
InChIInChI=1S/C10H9Cl2N5O.C2H6O/c11-7(12)9(18)15-4-1-2-6-5(3-4)8(13)17-10(14)16-6;1-2-3/h1-3,7H,(H,15,18)(H4,13,14,16,17);3H,2H2,1H3
InChIKeyNQRDHLCHCCLFAP-UHFFFAOYSA-N
XLogP1.53
TPSA127.15 Ų
H-Bond Donors4
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500332.19
LogP ≤ 51.53
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'alkyl_halide', 'substructure': 'N/A'}

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Related Compounds

N-(2,4-diaminoquinazolin-6-yl)-3,4,5-trimethoxybenzamide
CID 56690013
6-N,6-N-diethylquinazoline-2,4,6-triamine
CID 44531790
6-N-[(4-methoxyphenyl)methyl]quinazoline-2,4,6-triamine
CID 44533101
2,2-dichloro-N-[3-[(2,2-dichloroacetyl)amino]phenyl]acetamide
CID 840731
2-chloro-N-[6-(2-chlorobutanoylamino)acridin-3-yl]butanamide
CID 21438228
diethyl (2S)-2-[[4-[[(2,4-diaminoquinazolin-6-yl)amino]methyl]benzoyl]amino]pentanedioate
CID 90672045
dimethyl (2R)-2-[[4-[[(2,4-diaminoquinazolin-6-yl)amino]methyl]benzoyl]amino]pentanedioate
CID 44570511
1-(4-amino-2-methylquinolin-6-yl)-3-(4-fluorophenyl)urea
CID 73055603
5-(2-aminobutanoylamino)-2-fluorobenzoic acid
CID 43712184
N-(3-amino-4-fluorophenyl)-2-methylbutanamide
CID 16795322
3,4-dichloro-N-[(2,4-diaminoquinazolin-6-yl)methyl]benzamide
CID 599695
2,4-diaminoquinazoline-6-thiol
CID 91618965

Frequently Asked Questions

What is the IUPAC name of 2,2-dichloro-N-(2,4-diaminoquinazolin-6-yl)acetamide;ethanol?
The IUPAC name of 2,2-dichloro-N-(2,4-diaminoquinazolin-6-yl)acetamide;ethanol (CID 54599627) is 2,2-dichloro-N-(2,4-diaminoquinazolin-6-yl)acetamide;ethanol.
What is the SMILES notation for 2,2-dichloro-N-(2,4-diaminoquinazolin-6-yl)acetamide;ethanol?
The canonical SMILES for 2,2-dichloro-N-(2,4-diaminoquinazolin-6-yl)acetamide;ethanol is CCO.Nc1nc(N)c2cc(NC(=O)C(Cl)Cl)ccc2n1.
What is the InChIKey of 2,2-dichloro-N-(2,4-diaminoquinazolin-6-yl)acetamide;ethanol?
The InChIKey is NQRDHLCHCCLFAP-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H9Cl2N5O.C2H6O/c11-7(12)9(18)15-4-1-2-6-5(3-4)8(13)17-10(14)16-6;1-2-3/h1-3,7H,(H,15,18)(H4,13,14,16,17);3H,2H2,1H3.
What are the key properties of 2,2-dichloro-N-(2,4-diaminoquinazolin-6-yl)acetamide;ethanol?
2,2-dichloro-N-(2,4-diaminoquinazolin-6-yl)acetamide;ethanol has a molecular weight of 332.19 g/mol, XLogP of 1.53, 2 rotatable bonds, 4 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2-dichloro-N-(2,4-diaminoquinazolin-6-yl)acetamide;ethanol is sourced from PubChem (CID 54599627), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).