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

C9H15Cl2N5O2 — CID 6917782

IUPAC4-chloro-N-(4,5-dihydro-1H-imidazol-2-yl)-6-methoxy-2-methylpyrimidin-5-amine;hydrate;hydrochloride
SMILESCOc1nc(C)nc(Cl)c1NC1=NCCN1.Cl.O
InChIInChI=1S/C9H12ClN5O.ClH.H2O/c1-5-13-7(10)6(8(14-5)16-2)15-9-11-3-4-12-9;;/h3-4H2,1-2H3,(H2,11,12,15);1H;1H2
InChIKeyNAUQDRQPBQSFJN-UHFFFAOYSA-N
MW296.16 g/mol
LogP0.42
Rot. Bonds2

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

4-chloro-N-(4,5-dihydro-1H-imidazol-2-yl)-6-methoxy-2-methylpyrimidin-5-amine;hydrate;hydrochloride (PubChem CID 6917782) has the molecular formula C9H15Cl2N5O2 and a molecular weight of 296.16 g/mol. Its IUPAC name is 4-chloro-N-(4,5-dihydro-1H-imidazol-2-yl)-6-methoxy-2-methylpyrimidin-5-amine;hydrate;hydrochloride.

Molecular Properties

Compound Name4-chloro-N-(4,5-dihydro-1H-imidazol-2-yl)-6-methoxy-2-methylpyrimidin-5-amine;hydrate;hydrochloride
PubChem CID6917782
Molecular FormulaC9H15Cl2N5O2
Molecular Weight296.16 g/mol
Exact Mass295.06
IUPAC Name4-chloro-N-(4,5-dihydro-1H-imidazol-2-yl)-6-methoxy-2-methylpyrimidin-5-amine;hydrate;hydrochloride
SMILESCOc1nc(C)nc(Cl)c1NC1=NCCN1.Cl.O
InChIInChI=1S/C9H12ClN5O.ClH.H2O/c1-5-13-7(10)6(8(14-5)16-2)15-9-11-3-4-12-9;;/h3-4H2,1-2H3,(H2,11,12,15);1H;1H2
InChIKeyNAUQDRQPBQSFJN-UHFFFAOYSA-N
XLogP0.42
TPSA102.93 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.16
LogP ≤ 50.42
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 4-chloro-N-(4,5-dihydro-1H-imidazol-2-yl)-6-methoxy-2-methylpyrimidin-5-amine;hydrate;hydrochloride?
The IUPAC name of 4-chloro-N-(4,5-dihydro-1H-imidazol-2-yl)-6-methoxy-2-methylpyrimidin-5-amine;hydrate;hydrochloride (CID 6917782) is 4-chloro-N-(4,5-dihydro-1H-imidazol-2-yl)-6-methoxy-2-methylpyrimidin-5-amine;hydrate;hydrochloride.
What is the SMILES notation for 4-chloro-N-(4,5-dihydro-1H-imidazol-2-yl)-6-methoxy-2-methylpyrimidin-5-amine;hydrate;hydrochloride?
The canonical SMILES for 4-chloro-N-(4,5-dihydro-1H-imidazol-2-yl)-6-methoxy-2-methylpyrimidin-5-amine;hydrate;hydrochloride is COc1nc(C)nc(Cl)c1NC1=NCCN1.Cl.O.
What is the InChIKey of 4-chloro-N-(4,5-dihydro-1H-imidazol-2-yl)-6-methoxy-2-methylpyrimidin-5-amine;hydrate;hydrochloride?
The InChIKey is NAUQDRQPBQSFJN-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H12ClN5O.ClH.H2O/c1-5-13-7(10)6(8(14-5)16-2)15-9-11-3-4-12-9;;/h3-4H2,1-2H3,(H2,11,12,15);1H;1H2.
What are the key properties of 4-chloro-N-(4,5-dihydro-1H-imidazol-2-yl)-6-methoxy-2-methylpyrimidin-5-amine;hydrate;hydrochloride?
4-chloro-N-(4,5-dihydro-1H-imidazol-2-yl)-6-methoxy-2-methylpyrimidin-5-amine;hydrate;hydrochloride has a molecular weight of 296.16 g/mol, XLogP of 0.42, 2 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-N-(4,5-dihydro-1H-imidazol-2-yl)-6-methoxy-2-methylpyrimidin-5-amine;hydrate;hydrochloride is sourced from PubChem (CID 6917782), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).