[4-[[3-(hydroxymethyl)cyclopentyl]amino]pyrimidin-5-yl]-(5-phenylsulfanylfuran-2-yl)methanone

C21H21N3O3S — CID 144991368

IUPAC[4-[[3-(hydroxymethyl)cyclopentyl]amino]pyrimidin-5-yl]-(5-phenylsulfanylfuran-2-yl)methanone
SMILESO=C(c1ccc(Sc2ccccc2)o1)c1cncnc1NC1CCC(CO)C1
InChIInChI=1S/C21H21N3O3S/c25-12-14-6-7-15(10-14)24-21-17(11-22-13-23-21)20(26)18-8-9-19(27-18)28-16-4-2-1-3-5-16/h1-5,8-9,11,13-15,25H,6-7,10,12H2,(H,22,23,24)
InChIKeyNVNHETRUAUXVSJ-UHFFFAOYSA-N
MW395.48 g/mol
LogP4.02
Rot. Bonds7

About [4-[[3-(hydroxymethyl)cyclopentyl]amino]pyrimidin-5-yl]-(5-phenylsulfanylfuran-2-yl)methanone

[4-[[3-(hydroxymethyl)cyclopentyl]amino]pyrimidin-5-yl]-(5-phenylsulfanylfuran-2-yl)methanone (PubChem CID 144991368) has the molecular formula C21H21N3O3S and a molecular weight of 395.48 g/mol. Its IUPAC name is [4-[[3-(hydroxymethyl)cyclopentyl]amino]pyrimidin-5-yl]-(5-phenylsulfanylfuran-2-yl)methanone.

Molecular Properties

Compound Name[4-[[3-(hydroxymethyl)cyclopentyl]amino]pyrimidin-5-yl]-(5-phenylsulfanylfuran-2-yl)methanone
PubChem CID144991368
Molecular FormulaC21H21N3O3S
Molecular Weight395.48 g/mol
Exact Mass395.13
IUPAC Name[4-[[3-(hydroxymethyl)cyclopentyl]amino]pyrimidin-5-yl]-(5-phenylsulfanylfuran-2-yl)methanone
SMILESO=C(c1ccc(Sc2ccccc2)o1)c1cncnc1NC1CCC(CO)C1
InChIInChI=1S/C21H21N3O3S/c25-12-14-6-7-15(10-14)24-21-17(11-22-13-23-21)20(26)18-8-9-19(27-18)28-16-4-2-1-3-5-16/h1-5,8-9,11,13-15,25H,6-7,10,12H2,(H,22,23,24)
InChIKeyNVNHETRUAUXVSJ-UHFFFAOYSA-N
XLogP4.02
TPSA88.25 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500395.48
LogP ≤ 54.02
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Analyze [4-[[3-(hydroxymethyl)cyclopentyl]amino]pyrimidin-5-yl]-(5-phenylsulfanylfuran-2-yl)methanone with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

[4-[[3-(hydroxymethyl)cyclopentyl]amino]pyrimidin-5-yl]-(1H-pyrrol-3-yl)methanone
CID 144769913
[4-[[3-(hydroxymethyl)cyclopentyl]amino]pyrimidin-5-yl]-[1-(2-phenylethynyl)pyrrol-3-yl]methanone
CID 144770047
[(1R,3S)-3-[[5-(5-benzylthiophene-2-carbonyl)pyrimidin-4-yl]amino]cyclopentyl]methyl sulfamate
CID 139354224
[4-[[3-(aminosulfanyloxymethyl)cyclopentyl]amino]pyrimidin-5-yl]-[4-[(5-methylfuran-2-yl)methyl]thiophen-2-yl]methanone
CID 144991659
(5-bromofuran-2-yl)-[4-[[(1S,3S,4S)-3-ethyl-4-methylcyclopentyl]amino]pyrimidin-5-yl]methanone
CID 118654316
[(1R,3S)-3-[[5-[4-(hydroxymethyl)thiophene-2-carbonyl]pyrimidin-4-yl]amino]cyclopentyl]methyl sulfamate
CID 139354504
[3-[[5-(1-benzylpyrazole-3-carbonyl)pyrimidin-4-yl]amino]cyclopentyl]methyl sulfamate
CID 123309034
[(1R,3S)-3-[[5-[5-chloro-4-(3-chlorophenyl)sulfanylthiophene-2-carbonyl]pyrimidin-4-yl]amino]cyclopentyl]methyl sulfamate
CID 139354307
[4-[[3-(aminosulfanyloxymethyl)cyclopentyl]amino]pyrimidin-5-yl]-[4-(methoxymethyl)thiophen-2-yl]methanone
CID 144991795
[4-[[3-[[amino(methyl)amino]sulfanylperoxymethyl]cyclopentyl]amino]pyrimidin-5-yl]-(1-benzylpyrrol-3-yl)methanone
CID 144769938
[4-[[3-(aminosulfanyloxymethyl)cyclopentyl]amino]pyrimidin-5-yl]-[5-chloro-4-(hydroxymethyl)thiophen-2-yl]methanone
CID 144991352
[4-[[(1S,3S,4S)-3-(hydroxymethyl)-4-methylcyclopentyl]amino]pyrimidin-5-yl]-[4-[2-(2-methoxyphenyl)ethyl]thiophen-2-yl]methanone
CID 118654268

Frequently Asked Questions

What is the IUPAC name of [4-[[3-(hydroxymethyl)cyclopentyl]amino]pyrimidin-5-yl]-(5-phenylsulfanylfuran-2-yl)methanone?
The IUPAC name of [4-[[3-(hydroxymethyl)cyclopentyl]amino]pyrimidin-5-yl]-(5-phenylsulfanylfuran-2-yl)methanone (CID 144991368) is [4-[[3-(hydroxymethyl)cyclopentyl]amino]pyrimidin-5-yl]-(5-phenylsulfanylfuran-2-yl)methanone.
What is the SMILES notation for [4-[[3-(hydroxymethyl)cyclopentyl]amino]pyrimidin-5-yl]-(5-phenylsulfanylfuran-2-yl)methanone?
The canonical SMILES for [4-[[3-(hydroxymethyl)cyclopentyl]amino]pyrimidin-5-yl]-(5-phenylsulfanylfuran-2-yl)methanone is O=C(c1ccc(Sc2ccccc2)o1)c1cncnc1NC1CCC(CO)C1.
What is the InChIKey of [4-[[3-(hydroxymethyl)cyclopentyl]amino]pyrimidin-5-yl]-(5-phenylsulfanylfuran-2-yl)methanone?
The InChIKey is NVNHETRUAUXVSJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H21N3O3S/c25-12-14-6-7-15(10-14)24-21-17(11-22-13-23-21)20(26)18-8-9-19(27-18)28-16-4-2-1-3-5-16/h1-5,8-9,11,13-15,25H,6-7,10,12H2,(H,22,23,24).
What are the key properties of [4-[[3-(hydroxymethyl)cyclopentyl]amino]pyrimidin-5-yl]-(5-phenylsulfanylfuran-2-yl)methanone?
[4-[[3-(hydroxymethyl)cyclopentyl]amino]pyrimidin-5-yl]-(5-phenylsulfanylfuran-2-yl)methanone has a molecular weight of 395.48 g/mol, XLogP of 4.02, 7 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for [4-[[3-(hydroxymethyl)cyclopentyl]amino]pyrimidin-5-yl]-(5-phenylsulfanylfuran-2-yl)methanone is sourced from PubChem (CID 144991368), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).