5,6-dihydro-4H-pyrimidin-1-yl-(1-methylimidazol-4-yl)methanone

C9H12N4O — CID 20703304

IUPAC5,6-dihydro-4H-pyrimidin-1-yl-(1-methylimidazol-4-yl)methanone
SMILESCn1cnc(C(=O)N2C=NCCC2)c1
InChIInChI=1S/C9H12N4O/c1-12-5-8(11-7-12)9(14)13-4-2-3-10-6-13/h5-7H,2-4H2,1H3
InChIKeyVOJIIFHMAWAODP-UHFFFAOYSA-N
MW192.22 g/mol
LogP0.29
Rot. Bonds1

About 5,6-dihydro-4H-pyrimidin-1-yl-(1-methylimidazol-4-yl)methanone

5,6-dihydro-4H-pyrimidin-1-yl-(1-methylimidazol-4-yl)methanone (PubChem CID 20703304) has the molecular formula C9H12N4O and a molecular weight of 192.22 g/mol. Its IUPAC name is 5,6-dihydro-4H-pyrimidin-1-yl-(1-methylimidazol-4-yl)methanone.

Molecular Properties

Compound Name5,6-dihydro-4H-pyrimidin-1-yl-(1-methylimidazol-4-yl)methanone
PubChem CID20703304
Molecular FormulaC9H12N4O
Molecular Weight192.22 g/mol
Exact Mass192.10
IUPAC Name5,6-dihydro-4H-pyrimidin-1-yl-(1-methylimidazol-4-yl)methanone
SMILESCn1cnc(C(=O)N2C=NCCC2)c1
InChIInChI=1S/C9H12N4O/c1-12-5-8(11-7-12)9(14)13-4-2-3-10-6-13/h5-7H,2-4H2,1H3
InChIKeyVOJIIFHMAWAODP-UHFFFAOYSA-N
XLogP0.29
TPSA50.49 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500192.22
LogP ≤ 50.29
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 5,6-dihydro-4H-pyrimidin-1-yl-(1-methylimidazol-4-yl)methanone?
The IUPAC name of 5,6-dihydro-4H-pyrimidin-1-yl-(1-methylimidazol-4-yl)methanone (CID 20703304) is 5,6-dihydro-4H-pyrimidin-1-yl-(1-methylimidazol-4-yl)methanone.
What is the SMILES notation for 5,6-dihydro-4H-pyrimidin-1-yl-(1-methylimidazol-4-yl)methanone?
The canonical SMILES for 5,6-dihydro-4H-pyrimidin-1-yl-(1-methylimidazol-4-yl)methanone is Cn1cnc(C(=O)N2C=NCCC2)c1.
What is the InChIKey of 5,6-dihydro-4H-pyrimidin-1-yl-(1-methylimidazol-4-yl)methanone?
The InChIKey is VOJIIFHMAWAODP-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H12N4O/c1-12-5-8(11-7-12)9(14)13-4-2-3-10-6-13/h5-7H,2-4H2,1H3.
What are the key properties of 5,6-dihydro-4H-pyrimidin-1-yl-(1-methylimidazol-4-yl)methanone?
5,6-dihydro-4H-pyrimidin-1-yl-(1-methylimidazol-4-yl)methanone has a molecular weight of 192.22 g/mol, XLogP of 0.29, 1 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5,6-dihydro-4H-pyrimidin-1-yl-(1-methylimidazol-4-yl)methanone is sourced from PubChem (CID 20703304), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).