2-[(4-chloro-6-methoxy-2-methylpyrimidin-5-yl)amino]-4,5-dihydro-1H-imidazol-5-ol

C9H12ClN5O2 — CID 11139776

IUPAC2-[(4-chloro-6-methoxy-2-methylpyrimidin-5-yl)amino]-4,5-dihydro-1H-imidazol-5-ol
SMILESCOc1nc(C)nc(Cl)c1NC1=NCC(O)N1
InChIInChI=1S/C9H12ClN5O2/c1-4-12-7(10)6(8(13-4)17-2)15-9-11-3-5(16)14-9/h5,16H,3H2,1-2H3,(H2,11,14,15)
InChIKeyPXMQSXSEMQEDHE-UHFFFAOYSA-N
MW257.68 g/mol
LogP0.14
Rot. Bonds2

About 2-[(4-chloro-6-methoxy-2-methylpyrimidin-5-yl)amino]-4,5-dihydro-1H-imidazol-5-ol

2-[(4-chloro-6-methoxy-2-methylpyrimidin-5-yl)amino]-4,5-dihydro-1H-imidazol-5-ol (PubChem CID 11139776) has the molecular formula C9H12ClN5O2 and a molecular weight of 257.68 g/mol. Its IUPAC name is 2-[(4-chloro-6-methoxy-2-methylpyrimidin-5-yl)amino]-4,5-dihydro-1H-imidazol-5-ol.

Molecular Properties

Compound Name2-[(4-chloro-6-methoxy-2-methylpyrimidin-5-yl)amino]-4,5-dihydro-1H-imidazol-5-ol
PubChem CID11139776
Molecular FormulaC9H12ClN5O2
Molecular Weight257.68 g/mol
Exact Mass257.07
IUPAC Name2-[(4-chloro-6-methoxy-2-methylpyrimidin-5-yl)amino]-4,5-dihydro-1H-imidazol-5-ol
SMILESCOc1nc(C)nc(Cl)c1NC1=NCC(O)N1
InChIInChI=1S/C9H12ClN5O2/c1-4-12-7(10)6(8(13-4)17-2)15-9-11-3-5(16)14-9/h5,16H,3H2,1-2H3,(H2,11,14,15)
InChIKeyPXMQSXSEMQEDHE-UHFFFAOYSA-N
XLogP0.14
TPSA91.66 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.68
LogP ≤ 50.14
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 2-[(4-chloro-6-methoxy-2-methylpyrimidin-5-yl)amino]-4,5-dihydro-1H-imidazol-5-ol?
The IUPAC name of 2-[(4-chloro-6-methoxy-2-methylpyrimidin-5-yl)amino]-4,5-dihydro-1H-imidazol-5-ol (CID 11139776) is 2-[(4-chloro-6-methoxy-2-methylpyrimidin-5-yl)amino]-4,5-dihydro-1H-imidazol-5-ol.
What is the SMILES notation for 2-[(4-chloro-6-methoxy-2-methylpyrimidin-5-yl)amino]-4,5-dihydro-1H-imidazol-5-ol?
The canonical SMILES for 2-[(4-chloro-6-methoxy-2-methylpyrimidin-5-yl)amino]-4,5-dihydro-1H-imidazol-5-ol is COc1nc(C)nc(Cl)c1NC1=NCC(O)N1.
What is the InChIKey of 2-[(4-chloro-6-methoxy-2-methylpyrimidin-5-yl)amino]-4,5-dihydro-1H-imidazol-5-ol?
The InChIKey is PXMQSXSEMQEDHE-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H12ClN5O2/c1-4-12-7(10)6(8(13-4)17-2)15-9-11-3-5(16)14-9/h5,16H,3H2,1-2H3,(H2,11,14,15).
What are the key properties of 2-[(4-chloro-6-methoxy-2-methylpyrimidin-5-yl)amino]-4,5-dihydro-1H-imidazol-5-ol?
2-[(4-chloro-6-methoxy-2-methylpyrimidin-5-yl)amino]-4,5-dihydro-1H-imidazol-5-ol has a molecular weight of 257.68 g/mol, XLogP of 0.14, 2 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(4-chloro-6-methoxy-2-methylpyrimidin-5-yl)amino]-4,5-dihydro-1H-imidazol-5-ol is sourced from PubChem (CID 11139776), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).