2-benzylsulfanyl-6-propoxypyrimidin-4-amine

C14H17N3OS — CID 24823756

IUPAC2-benzylsulfanyl-6-propoxypyrimidin-4-amine
SMILESCCCOc1cc(N)nc(SCc2ccccc2)n1
InChIInChI=1S/C14H17N3OS/c1-2-8-18-13-9-12(15)16-14(17-13)19-10-11-6-4-3-5-7-11/h3-7,9H,2,8,10H2,1H3,(H2,15,16,17)
InChIKeyXZZJWUQBDNSKFM-UHFFFAOYSA-N
MW275.38 g/mol
LogP3.14
Rot. Bonds6

About 2-benzylsulfanyl-6-propoxypyrimidin-4-amine

2-benzylsulfanyl-6-propoxypyrimidin-4-amine (PubChem CID 24823756) has the molecular formula C14H17N3OS and a molecular weight of 275.38 g/mol. Its IUPAC name is 2-benzylsulfanyl-6-propoxypyrimidin-4-amine.

Molecular Properties

Compound Name2-benzylsulfanyl-6-propoxypyrimidin-4-amine
PubChem CID24823756
Molecular FormulaC14H17N3OS
Molecular Weight275.38 g/mol
Exact Mass275.11
IUPAC Name2-benzylsulfanyl-6-propoxypyrimidin-4-amine
SMILESCCCOc1cc(N)nc(SCc2ccccc2)n1
InChIInChI=1S/C14H17N3OS/c1-2-8-18-13-9-12(15)16-14(17-13)19-10-11-6-4-3-5-7-11/h3-7,9H,2,8,10H2,1H3,(H2,15,16,17)
InChIKeyXZZJWUQBDNSKFM-UHFFFAOYSA-N
XLogP3.14
TPSA61.03 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.38
LogP ≤ 53.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-benzylsulfanyl-6-propoxypyrimidin-4-amine?
The IUPAC name of 2-benzylsulfanyl-6-propoxypyrimidin-4-amine (CID 24823756) is 2-benzylsulfanyl-6-propoxypyrimidin-4-amine.
What is the SMILES notation for 2-benzylsulfanyl-6-propoxypyrimidin-4-amine?
The canonical SMILES for 2-benzylsulfanyl-6-propoxypyrimidin-4-amine is CCCOc1cc(N)nc(SCc2ccccc2)n1.
What is the InChIKey of 2-benzylsulfanyl-6-propoxypyrimidin-4-amine?
The InChIKey is XZZJWUQBDNSKFM-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17N3OS/c1-2-8-18-13-9-12(15)16-14(17-13)19-10-11-6-4-3-5-7-11/h3-7,9H,2,8,10H2,1H3,(H2,15,16,17).
What are the key properties of 2-benzylsulfanyl-6-propoxypyrimidin-4-amine?
2-benzylsulfanyl-6-propoxypyrimidin-4-amine has a molecular weight of 275.38 g/mol, XLogP of 3.14, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-benzylsulfanyl-6-propoxypyrimidin-4-amine is sourced from PubChem (CID 24823756), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).