2-(3-morpholin-4-ylpropylamino)pyrimidine-4-carbothioamide

C12H19N5OS — CID 107546554

IUPAC2-(3-morpholin-4-ylpropylamino)pyrimidine-4-carbothioamide
SMILESNC(=S)c1ccnc(NCCCN2CCOCC2)n1
InChIInChI=1S/C12H19N5OS/c13-11(19)10-2-4-15-12(16-10)14-3-1-5-17-6-8-18-9-7-17/h2,4H,1,3,5-9H2,(H2,13,19)(H,14,15,16)
InChIKeyNJAXXTGVSNTVEF-UHFFFAOYSA-N
MW281.38 g/mol
LogP0.25
Rot. Bonds6

About 2-(3-morpholin-4-ylpropylamino)pyrimidine-4-carbothioamide

2-(3-morpholin-4-ylpropylamino)pyrimidine-4-carbothioamide (PubChem CID 107546554) has the molecular formula C12H19N5OS and a molecular weight of 281.38 g/mol. Its IUPAC name is 2-(3-morpholin-4-ylpropylamino)pyrimidine-4-carbothioamide.

Molecular Properties

Compound Name2-(3-morpholin-4-ylpropylamino)pyrimidine-4-carbothioamide
PubChem CID107546554
Molecular FormulaC12H19N5OS
Molecular Weight281.38 g/mol
Exact Mass281.13
IUPAC Name2-(3-morpholin-4-ylpropylamino)pyrimidine-4-carbothioamide
SMILESNC(=S)c1ccnc(NCCCN2CCOCC2)n1
InChIInChI=1S/C12H19N5OS/c13-11(19)10-2-4-15-12(16-10)14-3-1-5-17-6-8-18-9-7-17/h2,4H,1,3,5-9H2,(H2,13,19)(H,14,15,16)
InChIKeyNJAXXTGVSNTVEF-UHFFFAOYSA-N
XLogP0.25
TPSA76.30 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.38
LogP ≤ 50.25
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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
6-(3-morpholin-4-ylpropylamino)pyridine-3-carbothioamide
CID 43348273
2-(3-cyclopentylpropylamino)pyrimidine-4-carbothioamide
CID 106010222
2-N,4-N-bis(2-morpholin-4-ylethyl)pyrimidine-2,4-diamine
CID 112887262
4-[4-(dimethylamino)phenyl]-N-(3-morpholin-4-ylpropyl)pyrimidin-2-amine
CID 162627933
2-N-(3-morpholin-4-ylpropyl)pyrimidine-2,5-diamine
CID 24823423
3-(2-morpholin-4-ylethylamino)pyrazine-2-carbothioamide
CID 62683926
[2-(2-morpholin-4-ylethylamino)pyrimidin-4-yl]-(4-pyrimidin-2-ylpiperazin-1-yl)methanone
CID 109301449
4-[2-(2-morpholin-4-ylethylamino)pyrimidine-4-carbonyl]piperazine-1-carbaldehyde
CID 109301412
N-benzyl-2-(2-morpholin-4-ylethylamino)pyrimidine-4-carboxamide
CID 109301415
2,3-difluoro-4-(3-morpholin-4-ylpropylamino)benzenecarbothioamide
CID 107934510
N-(3,5-dimethylphenyl)-2-(2-morpholin-4-ylethylamino)pyrimidine-4-carboxamide
CID 109301473

Frequently Asked Questions

What is the IUPAC name of 2-(3-morpholin-4-ylpropylamino)pyrimidine-4-carbothioamide?
The IUPAC name of 2-(3-morpholin-4-ylpropylamino)pyrimidine-4-carbothioamide (CID 107546554) is 2-(3-morpholin-4-ylpropylamino)pyrimidine-4-carbothioamide.
What is the SMILES notation for 2-(3-morpholin-4-ylpropylamino)pyrimidine-4-carbothioamide?
The canonical SMILES for 2-(3-morpholin-4-ylpropylamino)pyrimidine-4-carbothioamide is NC(=S)c1ccnc(NCCCN2CCOCC2)n1.
What is the InChIKey of 2-(3-morpholin-4-ylpropylamino)pyrimidine-4-carbothioamide?
The InChIKey is NJAXXTGVSNTVEF-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19N5OS/c13-11(19)10-2-4-15-12(16-10)14-3-1-5-17-6-8-18-9-7-17/h2,4H,1,3,5-9H2,(H2,13,19)(H,14,15,16).
What are the key properties of 2-(3-morpholin-4-ylpropylamino)pyrimidine-4-carbothioamide?
2-(3-morpholin-4-ylpropylamino)pyrimidine-4-carbothioamide has a molecular weight of 281.38 g/mol, XLogP of 0.25, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-morpholin-4-ylpropylamino)pyrimidine-4-carbothioamide is sourced from PubChem (CID 107546554), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).