4-(3-methylbutyl)-2-morpholin-4-yl-1H-pyrimidin-6-one

C13H21N3O2 — CID 135645680

IUPAC4-(3-methylbutyl)-2-morpholin-4-yl-1H-pyrimidin-6-one
SMILESCC(C)CCc1cc(=O)[nH]c(N2CCOCC2)n1
InChIInChI=1S/C13H21N3O2/c1-10(2)3-4-11-9-12(17)15-13(14-11)16-5-7-18-8-6-16/h9-10H,3-8H2,1-2H3,(H,14,15,17)
InChIKeyCFZCPOMGCSRUGK-UHFFFAOYSA-N
MW251.33 g/mol
LogP1.20
Rot. Bonds4

About 4-(3-methylbutyl)-2-morpholin-4-yl-1H-pyrimidin-6-one

4-(3-methylbutyl)-2-morpholin-4-yl-1H-pyrimidin-6-one (PubChem CID 135645680) has the molecular formula C13H21N3O2 and a molecular weight of 251.33 g/mol. Its IUPAC name is 4-(3-methylbutyl)-2-morpholin-4-yl-1H-pyrimidin-6-one.

Molecular Properties

Compound Name4-(3-methylbutyl)-2-morpholin-4-yl-1H-pyrimidin-6-one
PubChem CID135645680
Molecular FormulaC13H21N3O2
Molecular Weight251.33 g/mol
Exact Mass251.16
IUPAC Name4-(3-methylbutyl)-2-morpholin-4-yl-1H-pyrimidin-6-one
SMILESCC(C)CCc1cc(=O)[nH]c(N2CCOCC2)n1
InChIInChI=1S/C13H21N3O2/c1-10(2)3-4-11-9-12(17)15-13(14-11)16-5-7-18-8-6-16/h9-10H,3-8H2,1-2H3,(H,14,15,17)
InChIKeyCFZCPOMGCSRUGK-UHFFFAOYSA-N
XLogP1.20
TPSA58.22 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.33
LogP ≤ 51.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-(3-methylbutyl)-2-morpholin-4-yl-1H-pyrimidin-6-one?
The IUPAC name of 4-(3-methylbutyl)-2-morpholin-4-yl-1H-pyrimidin-6-one (CID 135645680) is 4-(3-methylbutyl)-2-morpholin-4-yl-1H-pyrimidin-6-one.
What is the SMILES notation for 4-(3-methylbutyl)-2-morpholin-4-yl-1H-pyrimidin-6-one?
The canonical SMILES for 4-(3-methylbutyl)-2-morpholin-4-yl-1H-pyrimidin-6-one is CC(C)CCc1cc(=O)[nH]c(N2CCOCC2)n1.
What is the InChIKey of 4-(3-methylbutyl)-2-morpholin-4-yl-1H-pyrimidin-6-one?
The InChIKey is CFZCPOMGCSRUGK-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H21N3O2/c1-10(2)3-4-11-9-12(17)15-13(14-11)16-5-7-18-8-6-16/h9-10H,3-8H2,1-2H3,(H,14,15,17).
What are the key properties of 4-(3-methylbutyl)-2-morpholin-4-yl-1H-pyrimidin-6-one?
4-(3-methylbutyl)-2-morpholin-4-yl-1H-pyrimidin-6-one has a molecular weight of 251.33 g/mol, XLogP of 1.20, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(3-methylbutyl)-2-morpholin-4-yl-1H-pyrimidin-6-one is sourced from PubChem (CID 135645680), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).