bis(2,6-dihydro-1H-pyrimidin-3-yl)methanone

C9H14N4O — CID 174793770

IUPACbis(2,6-dihydro-1H-pyrimidin-3-yl)methanone
SMILESO=C(N1C=CCNC1)N1C=CCNC1
InChIInChI=1S/C9H14N4O/c14-9(12-5-1-3-10-7-12)13-6-2-4-11-8-13/h1-2,5-6,10-11H,3-4,7-8H2
InChIKeyRXWGSJQESDSRFK-UHFFFAOYSA-N
MW194.24 g/mol
LogP-0.14
Rot. Bonds

About bis(2,6-dihydro-1H-pyrimidin-3-yl)methanone

bis(2,6-dihydro-1H-pyrimidin-3-yl)methanone (PubChem CID 174793770) has the molecular formula C9H14N4O and a molecular weight of 194.24 g/mol. Its IUPAC name is bis(2,6-dihydro-1H-pyrimidin-3-yl)methanone.

Molecular Properties

Compound Namebis(2,6-dihydro-1H-pyrimidin-3-yl)methanone
PubChem CID174793770
Molecular FormulaC9H14N4O
Molecular Weight194.24 g/mol
Exact Mass194.12
IUPAC Namebis(2,6-dihydro-1H-pyrimidin-3-yl)methanone
SMILESO=C(N1C=CCNC1)N1C=CCNC1
InChIInChI=1S/C9H14N4O/c14-9(12-5-1-3-10-7-12)13-6-2-4-11-8-13/h1-2,5-6,10-11H,3-4,7-8H2
InChIKeyRXWGSJQESDSRFK-UHFFFAOYSA-N
XLogP-0.14
TPSA47.61 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500194.24
LogP ≤ 5-0.14
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of bis(2,6-dihydro-1H-pyrimidin-3-yl)methanone?
The IUPAC name of bis(2,6-dihydro-1H-pyrimidin-3-yl)methanone (CID 174793770) is bis(2,6-dihydro-1H-pyrimidin-3-yl)methanone.
What is the SMILES notation for bis(2,6-dihydro-1H-pyrimidin-3-yl)methanone?
The canonical SMILES for bis(2,6-dihydro-1H-pyrimidin-3-yl)methanone is O=C(N1C=CCNC1)N1C=CCNC1.
What is the InChIKey of bis(2,6-dihydro-1H-pyrimidin-3-yl)methanone?
The InChIKey is RXWGSJQESDSRFK-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H14N4O/c14-9(12-5-1-3-10-7-12)13-6-2-4-11-8-13/h1-2,5-6,10-11H,3-4,7-8H2.
What are the key properties of bis(2,6-dihydro-1H-pyrimidin-3-yl)methanone?
bis(2,6-dihydro-1H-pyrimidin-3-yl)methanone has a molecular weight of 194.24 g/mol, XLogP of -0.14, 0 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for bis(2,6-dihydro-1H-pyrimidin-3-yl)methanone is sourced from PubChem (CID 174793770), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).