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

C18H24Cl2N10O2 — CID 18934261

IUPAC4-chloro-N-(4,5-dihydro-1H-imidazol-2-yl)-6-methoxy-2-methylpyrimidin-5-amine
SMILESCOc1nc(C)nc(Cl)c1NC1=NCCN1.COc1nc(C)nc(Cl)c1NC1=NCCN1
InChIInChI=1S/2C9H12ClN5O/c2*1-5-13-7(10)6(8(14-5)16-2)15-9-11-3-4-12-9/h2*3-4H2,1-2H3,(H2,11,12,15)
InChIKeyQYICXCZVDYNVEX-UHFFFAOYSA-N
MW483.36 g/mol
LogP1.64
Rot. Bonds4

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

4-chloro-N-(4,5-dihydro-1H-imidazol-2-yl)-6-methoxy-2-methylpyrimidin-5-amine (PubChem CID 18934261) has the molecular formula C18H24Cl2N10O2 and a molecular weight of 483.36 g/mol. Its IUPAC name is 4-chloro-N-(4,5-dihydro-1H-imidazol-2-yl)-6-methoxy-2-methylpyrimidin-5-amine.

Molecular Properties

Compound Name4-chloro-N-(4,5-dihydro-1H-imidazol-2-yl)-6-methoxy-2-methylpyrimidin-5-amine
PubChem CID18934261
Molecular FormulaC18H24Cl2N10O2
Molecular Weight483.36 g/mol
Exact Mass482.15
IUPAC Name4-chloro-N-(4,5-dihydro-1H-imidazol-2-yl)-6-methoxy-2-methylpyrimidin-5-amine
SMILESCOc1nc(C)nc(Cl)c1NC1=NCCN1.COc1nc(C)nc(Cl)c1NC1=NCCN1
InChIInChI=1S/2C9H12ClN5O/c2*1-5-13-7(10)6(8(14-5)16-2)15-9-11-3-4-12-9/h2*3-4H2,1-2H3,(H2,11,12,15)
InChIKeyQYICXCZVDYNVEX-UHFFFAOYSA-N
XLogP1.64
TPSA142.86 Ų
H-Bond Donors4
H-Bond Acceptors12
Rotatable Bonds4
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500483.36
LogP ≤ 51.64
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 1012

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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?
The IUPAC name of 4-chloro-N-(4,5-dihydro-1H-imidazol-2-yl)-6-methoxy-2-methylpyrimidin-5-amine (CID 18934261) is 4-chloro-N-(4,5-dihydro-1H-imidazol-2-yl)-6-methoxy-2-methylpyrimidin-5-amine.
What is the SMILES notation for 4-chloro-N-(4,5-dihydro-1H-imidazol-2-yl)-6-methoxy-2-methylpyrimidin-5-amine?
The canonical SMILES for 4-chloro-N-(4,5-dihydro-1H-imidazol-2-yl)-6-methoxy-2-methylpyrimidin-5-amine is COc1nc(C)nc(Cl)c1NC1=NCCN1.COc1nc(C)nc(Cl)c1NC1=NCCN1.
What is the InChIKey of 4-chloro-N-(4,5-dihydro-1H-imidazol-2-yl)-6-methoxy-2-methylpyrimidin-5-amine?
The InChIKey is QYICXCZVDYNVEX-UHFFFAOYSA-N. The full InChI is InChI=1S/2C9H12ClN5O/c2*1-5-13-7(10)6(8(14-5)16-2)15-9-11-3-4-12-9/h2*3-4H2,1-2H3,(H2,11,12,15).
What are the key properties of 4-chloro-N-(4,5-dihydro-1H-imidazol-2-yl)-6-methoxy-2-methylpyrimidin-5-amine?
4-chloro-N-(4,5-dihydro-1H-imidazol-2-yl)-6-methoxy-2-methylpyrimidin-5-amine has a molecular weight of 483.36 g/mol, XLogP of 1.64, 4 rotatable bonds, 4 hydrogen bond donors, and 12 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 is sourced from PubChem (CID 18934261), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).