4,6-di(propan-2-yl)-1H-pyrimidin-2-one;ethane

C14H28N2O — CID 165134028

IUPAC4,6-di(propan-2-yl)-1H-pyrimidin-2-one;ethane
SMILESCC.CC.CC(C)c1cc(C(C)C)[nH]c(=O)n1
InChIInChI=1S/C10H16N2O.2C2H6/c1-6(2)8-5-9(7(3)4)12-10(13)11-8;2*1-2/h5-7H,1-4H3,(H,11,12,13);2*1-2H3
InChIKeyCDZJQVRKDVGTRL-UHFFFAOYSA-N
MW240.39 g/mol
LogP4.07
Rot. Bonds2

About 4,6-di(propan-2-yl)-1H-pyrimidin-2-one;ethane

4,6-di(propan-2-yl)-1H-pyrimidin-2-one;ethane (PubChem CID 165134028) has the molecular formula C14H28N2O and a molecular weight of 240.39 g/mol. Its IUPAC name is 4,6-di(propan-2-yl)-1H-pyrimidin-2-one;ethane.

Molecular Properties

Compound Name4,6-di(propan-2-yl)-1H-pyrimidin-2-one;ethane
PubChem CID165134028
Molecular FormulaC14H28N2O
Molecular Weight240.39 g/mol
Exact Mass240.22
IUPAC Name4,6-di(propan-2-yl)-1H-pyrimidin-2-one;ethane
SMILESCC.CC.CC(C)c1cc(C(C)C)[nH]c(=O)n1
InChIInChI=1S/C10H16N2O.2C2H6/c1-6(2)8-5-9(7(3)4)12-10(13)11-8;2*1-2/h5-7H,1-4H3,(H,11,12,13);2*1-2H3
InChIKeyCDZJQVRKDVGTRL-UHFFFAOYSA-N
XLogP4.07
TPSA45.75 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.39
LogP ≤ 54.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 4,6-di(propan-2-yl)-1H-pyrimidin-2-one;ethane?
The IUPAC name of 4,6-di(propan-2-yl)-1H-pyrimidin-2-one;ethane (CID 165134028) is 4,6-di(propan-2-yl)-1H-pyrimidin-2-one;ethane.
What is the SMILES notation for 4,6-di(propan-2-yl)-1H-pyrimidin-2-one;ethane?
The canonical SMILES for 4,6-di(propan-2-yl)-1H-pyrimidin-2-one;ethane is CC.CC.CC(C)c1cc(C(C)C)[nH]c(=O)n1.
What is the InChIKey of 4,6-di(propan-2-yl)-1H-pyrimidin-2-one;ethane?
The InChIKey is CDZJQVRKDVGTRL-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H16N2O.2C2H6/c1-6(2)8-5-9(7(3)4)12-10(13)11-8;2*1-2/h5-7H,1-4H3,(H,11,12,13);2*1-2H3.
What are the key properties of 4,6-di(propan-2-yl)-1H-pyrimidin-2-one;ethane?
4,6-di(propan-2-yl)-1H-pyrimidin-2-one;ethane has a molecular weight of 240.39 g/mol, XLogP of 4.07, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4,6-di(propan-2-yl)-1H-pyrimidin-2-one;ethane is sourced from PubChem (CID 165134028), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).