6-chloro-N-(4,5-dihydro-1H-imidazol-2-yl)-4-methylquinazolin-2-amine;hydrate;hydrochloride

C12H15Cl2N5O — CID 21451341

IUPAC6-chloro-N-(4,5-dihydro-1H-imidazol-2-yl)-4-methylquinazolin-2-amine;hydrate;hydrochloride
SMILESCc1nc(NC2=NCCN2)nc2ccc(Cl)cc12.Cl.O
InChIInChI=1S/C12H12ClN5.ClH.H2O/c1-7-9-6-8(13)2-3-10(9)17-12(16-7)18-11-14-4-5-15-11;;/h2-3,6H,4-5H2,1H3,(H2,14,15,16,17,18);1H;1H2
InChIKeyPEHIOHNXSORAGS-UHFFFAOYSA-N
MW316.19 g/mol
LogP1.56
Rot. Bonds1

About 6-chloro-N-(4,5-dihydro-1H-imidazol-2-yl)-4-methylquinazolin-2-amine;hydrate;hydrochloride

6-chloro-N-(4,5-dihydro-1H-imidazol-2-yl)-4-methylquinazolin-2-amine;hydrate;hydrochloride (PubChem CID 21451341) has the molecular formula C12H15Cl2N5O and a molecular weight of 316.19 g/mol. Its IUPAC name is 6-chloro-N-(4,5-dihydro-1H-imidazol-2-yl)-4-methylquinazolin-2-amine;hydrate;hydrochloride.

Molecular Properties

Compound Name6-chloro-N-(4,5-dihydro-1H-imidazol-2-yl)-4-methylquinazolin-2-amine;hydrate;hydrochloride
PubChem CID21451341
Molecular FormulaC12H15Cl2N5O
Molecular Weight316.19 g/mol
Exact Mass315.07
IUPAC Name6-chloro-N-(4,5-dihydro-1H-imidazol-2-yl)-4-methylquinazolin-2-amine;hydrate;hydrochloride
SMILESCc1nc(NC2=NCCN2)nc2ccc(Cl)cc12.Cl.O
InChIInChI=1S/C12H12ClN5.ClH.H2O/c1-7-9-6-8(13)2-3-10(9)17-12(16-7)18-11-14-4-5-15-11;;/h2-3,6H,4-5H2,1H3,(H2,14,15,16,17,18);1H;1H2
InChIKeyPEHIOHNXSORAGS-UHFFFAOYSA-N
XLogP1.56
TPSA93.70 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500316.19
LogP ≤ 51.56
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 6-chloro-N-(4,5-dihydro-1H-imidazol-2-yl)-4-methylquinazolin-2-amine;hydrate;hydrochloride?
The IUPAC name of 6-chloro-N-(4,5-dihydro-1H-imidazol-2-yl)-4-methylquinazolin-2-amine;hydrate;hydrochloride (CID 21451341) is 6-chloro-N-(4,5-dihydro-1H-imidazol-2-yl)-4-methylquinazolin-2-amine;hydrate;hydrochloride.
What is the SMILES notation for 6-chloro-N-(4,5-dihydro-1H-imidazol-2-yl)-4-methylquinazolin-2-amine;hydrate;hydrochloride?
The canonical SMILES for 6-chloro-N-(4,5-dihydro-1H-imidazol-2-yl)-4-methylquinazolin-2-amine;hydrate;hydrochloride is Cc1nc(NC2=NCCN2)nc2ccc(Cl)cc12.Cl.O.
What is the InChIKey of 6-chloro-N-(4,5-dihydro-1H-imidazol-2-yl)-4-methylquinazolin-2-amine;hydrate;hydrochloride?
The InChIKey is PEHIOHNXSORAGS-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H12ClN5.ClH.H2O/c1-7-9-6-8(13)2-3-10(9)17-12(16-7)18-11-14-4-5-15-11;;/h2-3,6H,4-5H2,1H3,(H2,14,15,16,17,18);1H;1H2.
What are the key properties of 6-chloro-N-(4,5-dihydro-1H-imidazol-2-yl)-4-methylquinazolin-2-amine;hydrate;hydrochloride?
6-chloro-N-(4,5-dihydro-1H-imidazol-2-yl)-4-methylquinazolin-2-amine;hydrate;hydrochloride has a molecular weight of 316.19 g/mol, XLogP of 1.56, 1 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-chloro-N-(4,5-dihydro-1H-imidazol-2-yl)-4-methylquinazolin-2-amine;hydrate;hydrochloride is sourced from PubChem (CID 21451341), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).