2-methylsulfanyl-1-propan-2-yl-5,6-dihydro-4H-pyrimidine

C8H16N2S — CID 12504521

IUPAC2-methylsulfanyl-1-propan-2-yl-5,6-dihydro-4H-pyrimidine
SMILESCSC1=NCCCN1C(C)C
InChIInChI=1S/C8H16N2S/c1-7(2)10-6-4-5-9-8(10)11-3/h7H,4-6H2,1-3H3
InChIKeySGZFQGHSKPCPJM-UHFFFAOYSA-N
MW172.30 g/mol
LogP1.82
Rot. Bonds1

About 2-methylsulfanyl-1-propan-2-yl-5,6-dihydro-4H-pyrimidine

2-methylsulfanyl-1-propan-2-yl-5,6-dihydro-4H-pyrimidine (PubChem CID 12504521) has the molecular formula C8H16N2S and a molecular weight of 172.30 g/mol. Its IUPAC name is 2-methylsulfanyl-1-propan-2-yl-5,6-dihydro-4H-pyrimidine.

Molecular Properties

Compound Name2-methylsulfanyl-1-propan-2-yl-5,6-dihydro-4H-pyrimidine
PubChem CID12504521
Molecular FormulaC8H16N2S
Molecular Weight172.30 g/mol
Exact Mass172.10
IUPAC Name2-methylsulfanyl-1-propan-2-yl-5,6-dihydro-4H-pyrimidine
SMILESCSC1=NCCCN1C(C)C
InChIInChI=1S/C8H16N2S/c1-7(2)10-6-4-5-9-8(10)11-3/h7H,4-6H2,1-3H3
InChIKeySGZFQGHSKPCPJM-UHFFFAOYSA-N
XLogP1.82
TPSA15.60 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500172.30
LogP ≤ 51.82
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-methylsulfanyl-1-propan-2-yl-5,6-dihydro-4H-pyrimidine?
The IUPAC name of 2-methylsulfanyl-1-propan-2-yl-5,6-dihydro-4H-pyrimidine (CID 12504521) is 2-methylsulfanyl-1-propan-2-yl-5,6-dihydro-4H-pyrimidine.
What is the SMILES notation for 2-methylsulfanyl-1-propan-2-yl-5,6-dihydro-4H-pyrimidine?
The canonical SMILES for 2-methylsulfanyl-1-propan-2-yl-5,6-dihydro-4H-pyrimidine is CSC1=NCCCN1C(C)C.
What is the InChIKey of 2-methylsulfanyl-1-propan-2-yl-5,6-dihydro-4H-pyrimidine?
The InChIKey is SGZFQGHSKPCPJM-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H16N2S/c1-7(2)10-6-4-5-9-8(10)11-3/h7H,4-6H2,1-3H3.
What are the key properties of 2-methylsulfanyl-1-propan-2-yl-5,6-dihydro-4H-pyrimidine?
2-methylsulfanyl-1-propan-2-yl-5,6-dihydro-4H-pyrimidine has a molecular weight of 172.30 g/mol, XLogP of 1.82, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methylsulfanyl-1-propan-2-yl-5,6-dihydro-4H-pyrimidine is sourced from PubChem (CID 12504521), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).