2-cyclopropyl-4-(diazinane-1-carbonyl)-1H-pyrimidin-6-one

C12H16N4O2 — CID 154865866

IUPAC2-cyclopropyl-4-(diazinane-1-carbonyl)-1H-pyrimidin-6-one
SMILESO=C(c1cc(=O)[nH]c(C2CC2)n1)N1CCCCN1
InChIInChI=1S/C12H16N4O2/c17-10-7-9(14-11(15-10)8-3-4-8)12(18)16-6-2-1-5-13-16/h7-8,13H,1-6H2,(H,14,15,17)
InChIKeyNOIINDVDVQSGPJ-UHFFFAOYSA-N
MW248.29 g/mol
LogP0.39
Rot. Bonds2

About 2-cyclopropyl-4-(diazinane-1-carbonyl)-1H-pyrimidin-6-one

2-cyclopropyl-4-(diazinane-1-carbonyl)-1H-pyrimidin-6-one (PubChem CID 154865866) has the molecular formula C12H16N4O2 and a molecular weight of 248.29 g/mol. Its IUPAC name is 2-cyclopropyl-4-(diazinane-1-carbonyl)-1H-pyrimidin-6-one.

Molecular Properties

Compound Name2-cyclopropyl-4-(diazinane-1-carbonyl)-1H-pyrimidin-6-one
PubChem CID154865866
Molecular FormulaC12H16N4O2
Molecular Weight248.29 g/mol
Exact Mass248.13
IUPAC Name2-cyclopropyl-4-(diazinane-1-carbonyl)-1H-pyrimidin-6-one
SMILESO=C(c1cc(=O)[nH]c(C2CC2)n1)N1CCCCN1
InChIInChI=1S/C12H16N4O2/c17-10-7-9(14-11(15-10)8-3-4-8)12(18)16-6-2-1-5-13-16/h7-8,13H,1-6H2,(H,14,15,17)
InChIKeyNOIINDVDVQSGPJ-UHFFFAOYSA-N
XLogP0.39
TPSA78.09 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.29
LogP ≤ 50.39
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-cyclopropyl-4-(diazinane-1-carbonyl)-1H-pyrimidin-6-one?
The IUPAC name of 2-cyclopropyl-4-(diazinane-1-carbonyl)-1H-pyrimidin-6-one (CID 154865866) is 2-cyclopropyl-4-(diazinane-1-carbonyl)-1H-pyrimidin-6-one.
What is the SMILES notation for 2-cyclopropyl-4-(diazinane-1-carbonyl)-1H-pyrimidin-6-one?
The canonical SMILES for 2-cyclopropyl-4-(diazinane-1-carbonyl)-1H-pyrimidin-6-one is O=C(c1cc(=O)[nH]c(C2CC2)n1)N1CCCCN1.
What is the InChIKey of 2-cyclopropyl-4-(diazinane-1-carbonyl)-1H-pyrimidin-6-one?
The InChIKey is NOIINDVDVQSGPJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16N4O2/c17-10-7-9(14-11(15-10)8-3-4-8)12(18)16-6-2-1-5-13-16/h7-8,13H,1-6H2,(H,14,15,17).
What are the key properties of 2-cyclopropyl-4-(diazinane-1-carbonyl)-1H-pyrimidin-6-one?
2-cyclopropyl-4-(diazinane-1-carbonyl)-1H-pyrimidin-6-one has a molecular weight of 248.29 g/mol, XLogP of 0.39, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyclopropyl-4-(diazinane-1-carbonyl)-1H-pyrimidin-6-one is sourced from PubChem (CID 154865866), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).