2-amino-2,3-dihydro-1H-pyrimidine-4-thione

C4H7N3S — CID 141423893

IUPAC2-amino-2,3-dihydro-1H-pyrimidine-4-thione
SMILESNC1NC=CC(=S)N1
InChIInChI=1S/C4H7N3S/c5-4-6-2-1-3(8)7-4/h1-2,4,6H,5H2,(H,7,8)
InChIKeyXUBRADIADXINMJ-UHFFFAOYSA-N
MW129.19 g/mol
LogP-0.74
Rot. Bonds

About 2-amino-2,3-dihydro-1H-pyrimidine-4-thione

2-amino-2,3-dihydro-1H-pyrimidine-4-thione (PubChem CID 141423893) has the molecular formula C4H7N3S and a molecular weight of 129.19 g/mol. Its IUPAC name is 2-amino-2,3-dihydro-1H-pyrimidine-4-thione.

Molecular Properties

Compound Name2-amino-2,3-dihydro-1H-pyrimidine-4-thione
PubChem CID141423893
Molecular FormulaC4H7N3S
Molecular Weight129.19 g/mol
Exact Mass129.04
IUPAC Name2-amino-2,3-dihydro-1H-pyrimidine-4-thione
SMILESNC1NC=CC(=S)N1
InChIInChI=1S/C4H7N3S/c5-4-6-2-1-3(8)7-4/h1-2,4,6H,5H2,(H,7,8)
InChIKeyXUBRADIADXINMJ-UHFFFAOYSA-N
XLogP-0.74
TPSA50.08 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500129.19
LogP ≤ 5-0.74
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

4-Thiouracil
CID 2734394
2,4-Dithiouracil
CID 1712448
1-Methyl-2,4-dithiouracil
CID 23422236
3,4-Dihydro-2(1H)-pyrimidinethione
CID 5260030
Fluoromethyl-3,4-dihydropyrimidine-2(1h)-thione
CID 129746464
Dihydro-4(3H)-pyrimidinthion
CID 18173008
3-fluoro-1H-pyrimidine-2,4-dithione
CID 165157405
6-Amino-3,4-dihydropyrimidine-2(1h)-thione
CID 45078846
N-(2-Thiocarbamoyl-vinyl)-thioharnstoffe
CID 129646836
Methyl(1h,4h)-pyrimidine-2-thiol
CID 129705090
4-Methyl-2-thiocytosin
CID 129891054
4-sulfanyl-3,4-dihydro-1H-pyrimidine-2-thione
CID 3003874

Frequently Asked Questions

What is the IUPAC name of 2-amino-2,3-dihydro-1H-pyrimidine-4-thione?
The IUPAC name of 2-amino-2,3-dihydro-1H-pyrimidine-4-thione (CID 141423893) is 2-amino-2,3-dihydro-1H-pyrimidine-4-thione.
What is the SMILES notation for 2-amino-2,3-dihydro-1H-pyrimidine-4-thione?
The canonical SMILES for 2-amino-2,3-dihydro-1H-pyrimidine-4-thione is NC1NC=CC(=S)N1.
What is the InChIKey of 2-amino-2,3-dihydro-1H-pyrimidine-4-thione?
The InChIKey is XUBRADIADXINMJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H7N3S/c5-4-6-2-1-3(8)7-4/h1-2,4,6H,5H2,(H,7,8).
What are the key properties of 2-amino-2,3-dihydro-1H-pyrimidine-4-thione?
2-amino-2,3-dihydro-1H-pyrimidine-4-thione has a molecular weight of 129.19 g/mol, XLogP of -0.74, 0 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-2,3-dihydro-1H-pyrimidine-4-thione is sourced from PubChem (CID 141423893), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).