2-(cyclopentylsulfanylmethyl)-4-(1-methylpyrazol-4-yl)-1H-pyrimidin-6-one

C14H18N4OS — CID 136771723

IUPAC2-(cyclopentylsulfanylmethyl)-4-(1-methylpyrazol-4-yl)-1H-pyrimidin-6-one
SMILESCn1cc(-c2cc(=O)[nH]c(CSC3CCCC3)n2)cn1
InChIInChI=1S/C14H18N4OS/c1-18-8-10(7-15-18)12-6-14(19)17-13(16-12)9-20-11-4-2-3-5-11/h6-8,11H,2-5,9H2,1H3,(H,16,17,19)
InChIKeyUMPIBKMWFARULJ-UHFFFAOYSA-N
MW290.39 g/mol
LogP2.35
Rot. Bonds4

About 2-(cyclopentylsulfanylmethyl)-4-(1-methylpyrazol-4-yl)-1H-pyrimidin-6-one

2-(cyclopentylsulfanylmethyl)-4-(1-methylpyrazol-4-yl)-1H-pyrimidin-6-one (PubChem CID 136771723) has the molecular formula C14H18N4OS and a molecular weight of 290.39 g/mol. Its IUPAC name is 2-(cyclopentylsulfanylmethyl)-4-(1-methylpyrazol-4-yl)-1H-pyrimidin-6-one.

Molecular Properties

Compound Name2-(cyclopentylsulfanylmethyl)-4-(1-methylpyrazol-4-yl)-1H-pyrimidin-6-one
PubChem CID136771723
Molecular FormulaC14H18N4OS
Molecular Weight290.39 g/mol
Exact Mass290.12
IUPAC Name2-(cyclopentylsulfanylmethyl)-4-(1-methylpyrazol-4-yl)-1H-pyrimidin-6-one
SMILESCn1cc(-c2cc(=O)[nH]c(CSC3CCCC3)n2)cn1
InChIInChI=1S/C14H18N4OS/c1-18-8-10(7-15-18)12-6-14(19)17-13(16-12)9-20-11-4-2-3-5-11/h6-8,11H,2-5,9H2,1H3,(H,16,17,19)
InChIKeyUMPIBKMWFARULJ-UHFFFAOYSA-N
XLogP2.35
TPSA63.57 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.39
LogP ≤ 52.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2-[(dimethylamino)methyl]-4-(1-methylpyrazol-4-yl)-1H-pyrimidin-6-one
CID 136980824
4-chloro-2-(cyclopentylsulfanylmethyl)-6-(1-methylpyrazol-4-yl)pyrimidine
CID 106715370
2-(2-methoxypropyl)-4-(1-methylpyrazol-4-yl)-1H-pyrimidin-6-one
CID 136771714
2-[(4-bromophenyl)methyl]-4-(1-methylpyrazol-4-yl)-1H-pyrimidin-6-one
CID 136771794
4-(1-methylpyrazol-4-yl)-2-[(4-methyl-1,3-thiazol-2-yl)methyl]-1H-pyrimidin-6-one
CID 136771679
2-[amino(cyclopropyl)methyl]-4-(1-methylpyrazol-4-yl)-1H-pyrimidin-6-one
CID 136980837
2-(3-ethylcyclohexyl)-4-(1-methylpyrazol-4-yl)-1H-pyrimidin-6-one
CID 136771667
2-(azepan-1-yl)-4-(1-methylpyrazol-4-yl)-1H-pyrimidin-6-one
CID 136771798
2-propyl-4-(1-propylpyrazol-4-yl)-1H-pyrimidin-6-one
CID 136692313
2-(2-aminopropan-2-yl)-4-(1-methylpyrazol-4-yl)-1H-pyrimidin-6-one
CID 136771917
2-(3-aminopentan-3-yl)-4-(1-methylpyrazol-4-yl)-1H-pyrimidin-6-one
CID 136771918
4-cyclopropyl-2-(1-methylpyrazol-4-yl)-1H-pyrimidin-6-one
CID 135975402

Frequently Asked Questions

What is the IUPAC name of 2-(cyclopentylsulfanylmethyl)-4-(1-methylpyrazol-4-yl)-1H-pyrimidin-6-one?
The IUPAC name of 2-(cyclopentylsulfanylmethyl)-4-(1-methylpyrazol-4-yl)-1H-pyrimidin-6-one (CID 136771723) is 2-(cyclopentylsulfanylmethyl)-4-(1-methylpyrazol-4-yl)-1H-pyrimidin-6-one.
What is the SMILES notation for 2-(cyclopentylsulfanylmethyl)-4-(1-methylpyrazol-4-yl)-1H-pyrimidin-6-one?
The canonical SMILES for 2-(cyclopentylsulfanylmethyl)-4-(1-methylpyrazol-4-yl)-1H-pyrimidin-6-one is Cn1cc(-c2cc(=O)[nH]c(CSC3CCCC3)n2)cn1.
What is the InChIKey of 2-(cyclopentylsulfanylmethyl)-4-(1-methylpyrazol-4-yl)-1H-pyrimidin-6-one?
The InChIKey is UMPIBKMWFARULJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18N4OS/c1-18-8-10(7-15-18)12-6-14(19)17-13(16-12)9-20-11-4-2-3-5-11/h6-8,11H,2-5,9H2,1H3,(H,16,17,19).
What are the key properties of 2-(cyclopentylsulfanylmethyl)-4-(1-methylpyrazol-4-yl)-1H-pyrimidin-6-one?
2-(cyclopentylsulfanylmethyl)-4-(1-methylpyrazol-4-yl)-1H-pyrimidin-6-one has a molecular weight of 290.39 g/mol, XLogP of 2.35, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(cyclopentylsulfanylmethyl)-4-(1-methylpyrazol-4-yl)-1H-pyrimidin-6-one is sourced from PubChem (CID 136771723), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).