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

C13H22ClN3O2 — CID 163329753

IUPAC4-(3-methylbutyl)-2-morpholin-4-yl-1H-pyrimidin-6-one;hydrochloride
SMILESCC(C)CCc1cc(=O)[nH]c(N2CCOCC2)n1.Cl
InChIInChI=1S/C13H21N3O2.ClH/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);1H
InChIKeyLUPAOGLXNJGVPU-UHFFFAOYSA-N
MW287.79 g/mol
LogP1.62
Rot. Bonds4

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

4-(3-methylbutyl)-2-morpholin-4-yl-1H-pyrimidin-6-one;hydrochloride (PubChem CID 163329753) has the molecular formula C13H22ClN3O2 and a molecular weight of 287.79 g/mol. Its IUPAC name is 4-(3-methylbutyl)-2-morpholin-4-yl-1H-pyrimidin-6-one;hydrochloride.

Molecular Properties

Compound Name4-(3-methylbutyl)-2-morpholin-4-yl-1H-pyrimidin-6-one;hydrochloride
PubChem CID163329753
Molecular FormulaC13H22ClN3O2
Molecular Weight287.79 g/mol
Exact Mass287.14
IUPAC Name4-(3-methylbutyl)-2-morpholin-4-yl-1H-pyrimidin-6-one;hydrochloride
SMILESCC(C)CCc1cc(=O)[nH]c(N2CCOCC2)n1.Cl
InChIInChI=1S/C13H21N3O2.ClH/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);1H
InChIKeyLUPAOGLXNJGVPU-UHFFFAOYSA-N
XLogP1.62
TPSA58.22 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.79
LogP ≤ 51.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

4-(ethylaminomethyl)-2-morpholin-4-yl-1H-pyrimidin-6-one
CID 135978215
2-morpholin-4-yl-4-[(3R)-1-[(3S)-3-phenylbutyl]pyrrolidin-3-yl]-1H-pyrimidin-6-one
CID 137061511
2-(4-phenylpiperazin-1-yl)-4-propyl-1H-pyrimidin-6-one
CID 135456330
7-(3-methylbutyl)-2-morpholin-4-yl-5,6,8,9-tetrahydro-3H-pyrimido[4,5-d]azepin-4-one
CID 136880722
2-(4-aminopiperidin-1-yl)-4-ethyl-1H-pyrimidin-6-one
CID 136740823
4-(methoxymethyl)-2-piperazin-1-yl-1H-pyrimidin-6-one
CID 135629231
4-(2-aminopyrimidin-5-yl)-2-morpholin-4-yl-1H-pyrimidin-6-one
CID 144988717
2-[3-(cyclopropylmethoxy)pyrrolidin-1-yl]-4-morpholin-4-yl-1H-pyrimidin-6-one
CID 156749658
4-(chloromethyl)-2-piperidin-1-yl-1H-pyrimidin-6-one
CID 135978506
N-[(1S)-2-(2-morpholin-4-yl-6-oxo-1H-pyrimidin-4-yl)-1-phenylethyl]-1-propan-2-ylpyrazole-4-carboxamide
CID 136891499
2-morpholin-4-yl-4-[(3R)-1-(pyridin-2-ylmethyl)pyrrolidin-3-yl]-1H-pyrimidin-6-one
CID 136673603
2-[4-(4-chlorophenyl)piperazin-1-yl]-4-(methoxymethyl)-1H-pyrimidin-6-one
CID 135911475

Frequently Asked Questions

What is the IUPAC name of 4-(3-methylbutyl)-2-morpholin-4-yl-1H-pyrimidin-6-one;hydrochloride?
The IUPAC name of 4-(3-methylbutyl)-2-morpholin-4-yl-1H-pyrimidin-6-one;hydrochloride (CID 163329753) is 4-(3-methylbutyl)-2-morpholin-4-yl-1H-pyrimidin-6-one;hydrochloride.
What is the SMILES notation for 4-(3-methylbutyl)-2-morpholin-4-yl-1H-pyrimidin-6-one;hydrochloride?
The canonical SMILES for 4-(3-methylbutyl)-2-morpholin-4-yl-1H-pyrimidin-6-one;hydrochloride is CC(C)CCc1cc(=O)[nH]c(N2CCOCC2)n1.Cl.
What is the InChIKey of 4-(3-methylbutyl)-2-morpholin-4-yl-1H-pyrimidin-6-one;hydrochloride?
The InChIKey is LUPAOGLXNJGVPU-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H21N3O2.ClH/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);1H.
What are the key properties of 4-(3-methylbutyl)-2-morpholin-4-yl-1H-pyrimidin-6-one;hydrochloride?
4-(3-methylbutyl)-2-morpholin-4-yl-1H-pyrimidin-6-one;hydrochloride has a molecular weight of 287.79 g/mol, XLogP of 1.62, 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;hydrochloride is sourced from PubChem (CID 163329753), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).