2-butyl-5-heptan-4-yl-1H-pyrimidin-6-one;propane

C18H34N2O — CID 144923588

IUPAC2-butyl-5-heptan-4-yl-1H-pyrimidin-6-one;propane
SMILESCCC.CCCCc1ncc(C(CCC)CCC)c(=O)[nH]1
InChIInChI=1S/C15H26N2O.C3H8/c1-4-7-10-14-16-11-13(15(18)17-14)12(8-5-2)9-6-3;1-3-2/h11-12H,4-10H2,1-3H3,(H,16,17,18);3H2,1-2H3
InChIKeyWIGGMLPUPUZGCZ-UHFFFAOYSA-N
MW294.48 g/mol
LogP5.21
Rot. Bonds8

About 2-butyl-5-heptan-4-yl-1H-pyrimidin-6-one;propane

2-butyl-5-heptan-4-yl-1H-pyrimidin-6-one;propane (PubChem CID 144923588) has the molecular formula C18H34N2O and a molecular weight of 294.48 g/mol. Its IUPAC name is 2-butyl-5-heptan-4-yl-1H-pyrimidin-6-one;propane.

Molecular Properties

Compound Name2-butyl-5-heptan-4-yl-1H-pyrimidin-6-one;propane
PubChem CID144923588
Molecular FormulaC18H34N2O
Molecular Weight294.48 g/mol
Exact Mass294.27
IUPAC Name2-butyl-5-heptan-4-yl-1H-pyrimidin-6-one;propane
SMILESCCC.CCCCc1ncc(C(CCC)CCC)c(=O)[nH]1
InChIInChI=1S/C15H26N2O.C3H8/c1-4-7-10-14-16-11-13(15(18)17-14)12(8-5-2)9-6-3;1-3-2/h11-12H,4-10H2,1-3H3,(H,16,17,18);3H2,1-2H3
InChIKeyWIGGMLPUPUZGCZ-UHFFFAOYSA-N
XLogP5.21
TPSA45.75 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500294.48
LogP ≤ 55.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

Methyl-5-n-propyl-4(3h)-pyrimidinone
CID 44176222
2-cyclopropyl-5-propyl-1H-pyrimidin-6-one
CID 23465438
2,5-di(propan-2-yl)-1H-pyrimidin-6-one
CID 24903699
2-cyclohexyl-5-methyl-1H-pyrimidin-6-one
CID 59473971
2-methyl-5-(2-methylpropyl)-1H-pyrimidin-6-one
CID 117260666
5-cyclohexyl-2-methyl-1H-pyrimidin-6-one
CID 117260853
2-Heptan-3-yl-5-heptan-4-yl-3-hydroxypyrimidin-4-one
CID 123546576
2-ethyl-5-(2-methylpropyl)-1H-pyrimidin-6-one
CID 126542947
5-(2-methylpropyl)-2-propan-2-yl-1H-pyrimidin-6-one
CID 126543346
2-[3-(ethylamino)propyl]-5-propyl-1H-pyrimidin-6-one
CID 144503930
2-methyl-5-(2-piperidin-4-ylethyl)-1H-pyrimidin-6-one
CID 153979522
5-butyl-2-methyl-1H-pyrimidin-6-one
CID 154318485

Frequently Asked Questions

What is the IUPAC name of 2-butyl-5-heptan-4-yl-1H-pyrimidin-6-one;propane?
The IUPAC name of 2-butyl-5-heptan-4-yl-1H-pyrimidin-6-one;propane (CID 144923588) is 2-butyl-5-heptan-4-yl-1H-pyrimidin-6-one;propane.
What is the SMILES notation for 2-butyl-5-heptan-4-yl-1H-pyrimidin-6-one;propane?
The canonical SMILES for 2-butyl-5-heptan-4-yl-1H-pyrimidin-6-one;propane is CCC.CCCCc1ncc(C(CCC)CCC)c(=O)[nH]1.
What is the InChIKey of 2-butyl-5-heptan-4-yl-1H-pyrimidin-6-one;propane?
The InChIKey is WIGGMLPUPUZGCZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H26N2O.C3H8/c1-4-7-10-14-16-11-13(15(18)17-14)12(8-5-2)9-6-3;1-3-2/h11-12H,4-10H2,1-3H3,(H,16,17,18);3H2,1-2H3.
What are the key properties of 2-butyl-5-heptan-4-yl-1H-pyrimidin-6-one;propane?
2-butyl-5-heptan-4-yl-1H-pyrimidin-6-one;propane has a molecular weight of 294.48 g/mol, XLogP of 5.21, 8 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-butyl-5-heptan-4-yl-1H-pyrimidin-6-one;propane is sourced from PubChem (CID 144923588), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).