4-N-(3-fluorocyclopentyl)-2-propylsulfanylpyrimidine-4,5,6-triamine

C12H20FN5S — CID 144529059

IUPAC4-N-(3-fluorocyclopentyl)-2-propylsulfanylpyrimidine-4,5,6-triamine
SMILESCCCSc1nc(N)c(N)c(NC2CCC(F)C2)n1
InChIInChI=1S/C12H20FN5S/c1-2-5-19-12-17-10(15)9(14)11(18-12)16-8-4-3-7(13)6-8/h7-8H,2-6,14H2,1H3,(H3,15,16,17,18)
InChIKeyFHXVOEAVCHBAHU-UHFFFAOYSA-N
MW285.39 g/mol
LogP2.45
Rot. Bonds5

About 4-N-(3-fluorocyclopentyl)-2-propylsulfanylpyrimidine-4,5,6-triamine

4-N-(3-fluorocyclopentyl)-2-propylsulfanylpyrimidine-4,5,6-triamine (PubChem CID 144529059) has the molecular formula C12H20FN5S and a molecular weight of 285.39 g/mol. Its IUPAC name is 4-N-(3-fluorocyclopentyl)-2-propylsulfanylpyrimidine-4,5,6-triamine.

Molecular Properties

Compound Name4-N-(3-fluorocyclopentyl)-2-propylsulfanylpyrimidine-4,5,6-triamine
PubChem CID144529059
Molecular FormulaC12H20FN5S
Molecular Weight285.39 g/mol
Exact Mass285.14
IUPAC Name4-N-(3-fluorocyclopentyl)-2-propylsulfanylpyrimidine-4,5,6-triamine
SMILESCCCSc1nc(N)c(N)c(NC2CCC(F)C2)n1
InChIInChI=1S/C12H20FN5S/c1-2-5-19-12-17-10(15)9(14)11(18-12)16-8-4-3-7(13)6-8/h7-8H,2-6,14H2,1H3,(H3,15,16,17,18)
InChIKeyFHXVOEAVCHBAHU-UHFFFAOYSA-N
XLogP2.45
TPSA89.85 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.39
LogP ≤ 52.45
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 4-N-(3-fluorocyclopentyl)-2-propylsulfanylpyrimidine-4,5,6-triamine?
The IUPAC name of 4-N-(3-fluorocyclopentyl)-2-propylsulfanylpyrimidine-4,5,6-triamine (CID 144529059) is 4-N-(3-fluorocyclopentyl)-2-propylsulfanylpyrimidine-4,5,6-triamine.
What is the SMILES notation for 4-N-(3-fluorocyclopentyl)-2-propylsulfanylpyrimidine-4,5,6-triamine?
The canonical SMILES for 4-N-(3-fluorocyclopentyl)-2-propylsulfanylpyrimidine-4,5,6-triamine is CCCSc1nc(N)c(N)c(NC2CCC(F)C2)n1.
What is the InChIKey of 4-N-(3-fluorocyclopentyl)-2-propylsulfanylpyrimidine-4,5,6-triamine?
The InChIKey is FHXVOEAVCHBAHU-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H20FN5S/c1-2-5-19-12-17-10(15)9(14)11(18-12)16-8-4-3-7(13)6-8/h7-8H,2-6,14H2,1H3,(H3,15,16,17,18).
What are the key properties of 4-N-(3-fluorocyclopentyl)-2-propylsulfanylpyrimidine-4,5,6-triamine?
4-N-(3-fluorocyclopentyl)-2-propylsulfanylpyrimidine-4,5,6-triamine has a molecular weight of 285.39 g/mol, XLogP of 2.45, 5 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-N-(3-fluorocyclopentyl)-2-propylsulfanylpyrimidine-4,5,6-triamine is sourced from PubChem (CID 144529059), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).