2-(3-cyclopentylpropylamino)pyrimidine-4-carbothioamide

C13H20N4S — CID 106010222

IUPAC2-(3-cyclopentylpropylamino)pyrimidine-4-carbothioamide
SMILESNC(=S)c1ccnc(NCCCC2CCCC2)n1
InChIInChI=1S/C13H20N4S/c14-12(18)11-7-9-16-13(17-11)15-8-3-6-10-4-1-2-5-10/h7,9-10H,1-6,8H2,(H2,14,18)(H,15,16,17)
InChIKeyGZLBDMPIMZOMJF-UHFFFAOYSA-N
MW264.40 g/mol
LogP2.49
Rot. Bonds6

About 2-(3-cyclopentylpropylamino)pyrimidine-4-carbothioamide

2-(3-cyclopentylpropylamino)pyrimidine-4-carbothioamide (PubChem CID 106010222) has the molecular formula C13H20N4S and a molecular weight of 264.40 g/mol. Its IUPAC name is 2-(3-cyclopentylpropylamino)pyrimidine-4-carbothioamide.

Molecular Properties

Compound Name2-(3-cyclopentylpropylamino)pyrimidine-4-carbothioamide
PubChem CID106010222
Molecular FormulaC13H20N4S
Molecular Weight264.40 g/mol
Exact Mass264.14
IUPAC Name2-(3-cyclopentylpropylamino)pyrimidine-4-carbothioamide
SMILESNC(=S)c1ccnc(NCCCC2CCCC2)n1
InChIInChI=1S/C13H20N4S/c14-12(18)11-7-9-16-13(17-11)15-8-3-6-10-4-1-2-5-10/h7,9-10H,1-6,8H2,(H2,14,18)(H,15,16,17)
InChIKeyGZLBDMPIMZOMJF-UHFFFAOYSA-N
XLogP2.49
TPSA63.83 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.40
LogP ≤ 52.49
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'Thiocarbonyl_group', 'substructure': 'N/A'}

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Related Compounds

5-[(4-carbamothioylpyrimidin-2-yl)amino]pentanamide
CID 114162241
5-(3-cyclopentylpropylamino)pyrazine-2-carbothioamide
CID 106010221
2-[(4-methylcyclohexyl)methylamino]pyrimidine-4-carbothioamide
CID 107547443
4-N-(3-cyclopentylpropyl)-2-N-propylpyrimidine-2,4-diamine
CID 106014980
2-[(2-methylcyclopentyl)methylamino]pyrimidine-4-carbothioamide
CID 107548274
2-[3-(methanesulfonamido)propylamino]pyrimidine-4-carbothioamide
CID 106339028
2-(3-morpholin-4-ylpropylamino)pyrimidine-4-carbothioamide
CID 107546554
4-(2-cyclopentylethylamino)pyridine-2-carbothioamide
CID 62926085
N-(3-cyclopentylpropyl)-4-propoxypyrimidin-2-amine
CID 106012839
2-(thiolan-2-ylmethylamino)pyrimidine-4-carbothioamide
CID 107547797
N-[2-[(4-carbamothioylpyrimidin-2-yl)amino]ethyl]acetamide
CID 107546643
6-(2-cyclopentylethylamino)pyridine-2-carbothioamide
CID 64588853

Frequently Asked Questions

What is the IUPAC name of 2-(3-cyclopentylpropylamino)pyrimidine-4-carbothioamide?
The IUPAC name of 2-(3-cyclopentylpropylamino)pyrimidine-4-carbothioamide (CID 106010222) is 2-(3-cyclopentylpropylamino)pyrimidine-4-carbothioamide.
What is the SMILES notation for 2-(3-cyclopentylpropylamino)pyrimidine-4-carbothioamide?
The canonical SMILES for 2-(3-cyclopentylpropylamino)pyrimidine-4-carbothioamide is NC(=S)c1ccnc(NCCCC2CCCC2)n1.
What is the InChIKey of 2-(3-cyclopentylpropylamino)pyrimidine-4-carbothioamide?
The InChIKey is GZLBDMPIMZOMJF-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20N4S/c14-12(18)11-7-9-16-13(17-11)15-8-3-6-10-4-1-2-5-10/h7,9-10H,1-6,8H2,(H2,14,18)(H,15,16,17).
What are the key properties of 2-(3-cyclopentylpropylamino)pyrimidine-4-carbothioamide?
2-(3-cyclopentylpropylamino)pyrimidine-4-carbothioamide has a molecular weight of 264.40 g/mol, XLogP of 2.49, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-cyclopentylpropylamino)pyrimidine-4-carbothioamide is sourced from PubChem (CID 106010222), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).