2-cyclopropyl-6-(propan-2-ylamino)-1H-pyrimidine-4-thione

C10H15N3S — CID 82457489

IUPAC2-cyclopropyl-6-(propan-2-ylamino)-1H-pyrimidine-4-thione
SMILESCC(C)Nc1cc(=S)nc(C2CC2)[nH]1
InChIInChI=1S/C10H15N3S/c1-6(2)11-8-5-9(14)13-10(12-8)7-3-4-7/h5-7H,3-4H2,1-2H3,(H2,11,12,13,14)
InChIKeyCIFPYXIFSINZDH-UHFFFAOYSA-N
MW209.32 g/mol
LogP2.84
Rot. Bonds3

About 2-cyclopropyl-6-(propan-2-ylamino)-1H-pyrimidine-4-thione

2-cyclopropyl-6-(propan-2-ylamino)-1H-pyrimidine-4-thione (PubChem CID 82457489) has the molecular formula C10H15N3S and a molecular weight of 209.32 g/mol. Its IUPAC name is 2-cyclopropyl-6-(propan-2-ylamino)-1H-pyrimidine-4-thione.

Molecular Properties

Compound Name2-cyclopropyl-6-(propan-2-ylamino)-1H-pyrimidine-4-thione
PubChem CID82457489
Molecular FormulaC10H15N3S
Molecular Weight209.32 g/mol
Exact Mass209.10
IUPAC Name2-cyclopropyl-6-(propan-2-ylamino)-1H-pyrimidine-4-thione
SMILESCC(C)Nc1cc(=S)nc(C2CC2)[nH]1
InChIInChI=1S/C10H15N3S/c1-6(2)11-8-5-9(14)13-10(12-8)7-3-4-7/h5-7H,3-4H2,1-2H3,(H2,11,12,13,14)
InChIKeyCIFPYXIFSINZDH-UHFFFAOYSA-N
XLogP2.84
TPSA40.71 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500209.32
LogP ≤ 52.84
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-cyclopropyl-6-(propan-2-ylamino)-1H-pyrimidine-4-thione?
The IUPAC name of 2-cyclopropyl-6-(propan-2-ylamino)-1H-pyrimidine-4-thione (CID 82457489) is 2-cyclopropyl-6-(propan-2-ylamino)-1H-pyrimidine-4-thione.
What is the SMILES notation for 2-cyclopropyl-6-(propan-2-ylamino)-1H-pyrimidine-4-thione?
The canonical SMILES for 2-cyclopropyl-6-(propan-2-ylamino)-1H-pyrimidine-4-thione is CC(C)Nc1cc(=S)nc(C2CC2)[nH]1.
What is the InChIKey of 2-cyclopropyl-6-(propan-2-ylamino)-1H-pyrimidine-4-thione?
The InChIKey is CIFPYXIFSINZDH-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H15N3S/c1-6(2)11-8-5-9(14)13-10(12-8)7-3-4-7/h5-7H,3-4H2,1-2H3,(H2,11,12,13,14).
What are the key properties of 2-cyclopropyl-6-(propan-2-ylamino)-1H-pyrimidine-4-thione?
2-cyclopropyl-6-(propan-2-ylamino)-1H-pyrimidine-4-thione has a molecular weight of 209.32 g/mol, XLogP of 2.84, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyclopropyl-6-(propan-2-ylamino)-1H-pyrimidine-4-thione is sourced from PubChem (CID 82457489), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).