2-(2-aminopyrimidin-5-yl)propane-2-thiol

C7H11N3S — CID 123758067

IUPAC2-(2-aminopyrimidin-5-yl)propane-2-thiol
SMILESCC(C)(S)c1cnc(N)nc1
InChIInChI=1S/C7H11N3S/c1-7(2,11)5-3-9-6(8)10-4-5/h3-4,11H,1-2H3,(H2,8,9,10)
InChIKeyKJPSSHKPQBZXMO-UHFFFAOYSA-N
MW169.25 g/mol
LogP1.22
Rot. Bonds1

About 2-(2-aminopyrimidin-5-yl)propane-2-thiol

2-(2-aminopyrimidin-5-yl)propane-2-thiol (PubChem CID 123758067) has the molecular formula C7H11N3S and a molecular weight of 169.25 g/mol. Its IUPAC name is 2-(2-aminopyrimidin-5-yl)propane-2-thiol.

Molecular Properties

Compound Name2-(2-aminopyrimidin-5-yl)propane-2-thiol
PubChem CID123758067
Molecular FormulaC7H11N3S
Molecular Weight169.25 g/mol
Exact Mass169.07
IUPAC Name2-(2-aminopyrimidin-5-yl)propane-2-thiol
SMILESCC(C)(S)c1cnc(N)nc1
InChIInChI=1S/C7H11N3S/c1-7(2,11)5-3-9-6(8)10-4-5/h3-4,11H,1-2H3,(H2,8,9,10)
InChIKeyKJPSSHKPQBZXMO-UHFFFAOYSA-N
XLogP1.22
TPSA51.80 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500169.25
LogP ≤ 51.22
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'thiol_2', 'substructure': 'N/A'}

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Related Compounds

5-[1,1-bis(phosphanyl)ethyl]pyrimidin-2-amine
CID 170391497
5-(2-methylbutan-2-yl)pyrimidin-2-amine
CID 123717080
5-(trifluoromethyl)pyrimidin-2-amine
CID 15273574
5-(2-methylpenta-3,4-dien-2-yl)pyrimidin-2-amine
CID 123212402
molecular hydrogen;5-(trifluoromethyl)pyrimidin-2-amine
CID 153387486
5-[(1R)-1-amino-1-(4-fluorophenyl)ethyl]pyrimidin-2-amine
CID 155795231
5-methylpyrimidin-2-amine
CID 12999933
N,N-dimethylmethanamine;pyrimidine-2,5-diamine
CID 175245115
5-tert-butylpyrimidin-1-ium-2-amine
CID 147007065
2-(1,3,5-triazin-2-yl)propane-2-thiol
CID 155095900
5-N,5-N-dimethylpyrimidine-2,5-diamine
CID 45080264
2-amino-N-tert-butylpyrimidine-5-sulfonamide
CID 62148276

Frequently Asked Questions

What is the IUPAC name of 2-(2-aminopyrimidin-5-yl)propane-2-thiol?
The IUPAC name of 2-(2-aminopyrimidin-5-yl)propane-2-thiol (CID 123758067) is 2-(2-aminopyrimidin-5-yl)propane-2-thiol.
What is the SMILES notation for 2-(2-aminopyrimidin-5-yl)propane-2-thiol?
The canonical SMILES for 2-(2-aminopyrimidin-5-yl)propane-2-thiol is CC(C)(S)c1cnc(N)nc1.
What is the InChIKey of 2-(2-aminopyrimidin-5-yl)propane-2-thiol?
The InChIKey is KJPSSHKPQBZXMO-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H11N3S/c1-7(2,11)5-3-9-6(8)10-4-5/h3-4,11H,1-2H3,(H2,8,9,10).
What are the key properties of 2-(2-aminopyrimidin-5-yl)propane-2-thiol?
2-(2-aminopyrimidin-5-yl)propane-2-thiol has a molecular weight of 169.25 g/mol, XLogP of 1.22, 1 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-aminopyrimidin-5-yl)propane-2-thiol is sourced from PubChem (CID 123758067), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).