2-[4-cyclopropyl-6-(difluoromethyl)pyrimidin-2-yl]sulfanylethanamine

C10H13F2N3S — CID 19621441

IUPAC2-[4-cyclopropyl-6-(difluoromethyl)pyrimidin-2-yl]sulfanylethanamine
SMILESNCCSc1nc(C(F)F)cc(C2CC2)n1
InChIInChI=1S/C10H13F2N3S/c11-9(12)8-5-7(6-1-2-6)14-10(15-8)16-4-3-13/h5-6,9H,1-4,13H2
InChIKeyCWADZXIJYQTZEO-UHFFFAOYSA-N
MW245.30 g/mol
LogP2.34
Rot. Bonds5

About 2-[4-cyclopropyl-6-(difluoromethyl)pyrimidin-2-yl]sulfanylethanamine

2-[4-cyclopropyl-6-(difluoromethyl)pyrimidin-2-yl]sulfanylethanamine (PubChem CID 19621441) has the molecular formula C10H13F2N3S and a molecular weight of 245.30 g/mol. Its IUPAC name is 2-[4-cyclopropyl-6-(difluoromethyl)pyrimidin-2-yl]sulfanylethanamine.

Molecular Properties

Compound Name2-[4-cyclopropyl-6-(difluoromethyl)pyrimidin-2-yl]sulfanylethanamine
PubChem CID19621441
Molecular FormulaC10H13F2N3S
Molecular Weight245.30 g/mol
Exact Mass245.08
IUPAC Name2-[4-cyclopropyl-6-(difluoromethyl)pyrimidin-2-yl]sulfanylethanamine
SMILESNCCSc1nc(C(F)F)cc(C2CC2)n1
InChIInChI=1S/C10H13F2N3S/c11-9(12)8-5-7(6-1-2-6)14-10(15-8)16-4-3-13/h5-6,9H,1-4,13H2
InChIKeyCWADZXIJYQTZEO-UHFFFAOYSA-N
XLogP2.34
TPSA51.80 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500245.30
LogP ≤ 52.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-[4-cyclopropyl-6-(difluoromethyl)pyrimidin-2-yl]sulfanylethanamine?
The IUPAC name of 2-[4-cyclopropyl-6-(difluoromethyl)pyrimidin-2-yl]sulfanylethanamine (CID 19621441) is 2-[4-cyclopropyl-6-(difluoromethyl)pyrimidin-2-yl]sulfanylethanamine.
What is the SMILES notation for 2-[4-cyclopropyl-6-(difluoromethyl)pyrimidin-2-yl]sulfanylethanamine?
The canonical SMILES for 2-[4-cyclopropyl-6-(difluoromethyl)pyrimidin-2-yl]sulfanylethanamine is NCCSc1nc(C(F)F)cc(C2CC2)n1.
What is the InChIKey of 2-[4-cyclopropyl-6-(difluoromethyl)pyrimidin-2-yl]sulfanylethanamine?
The InChIKey is CWADZXIJYQTZEO-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13F2N3S/c11-9(12)8-5-7(6-1-2-6)14-10(15-8)16-4-3-13/h5-6,9H,1-4,13H2.
What are the key properties of 2-[4-cyclopropyl-6-(difluoromethyl)pyrimidin-2-yl]sulfanylethanamine?
2-[4-cyclopropyl-6-(difluoromethyl)pyrimidin-2-yl]sulfanylethanamine has a molecular weight of 245.30 g/mol, XLogP of 2.34, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-cyclopropyl-6-(difluoromethyl)pyrimidin-2-yl]sulfanylethanamine is sourced from PubChem (CID 19621441), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).