6-methyl-2-pent-3-ynylsulfanylpyrimidin-4-amine

C10H13N3S — CID 104744126

IUPAC6-methyl-2-pent-3-ynylsulfanylpyrimidin-4-amine
SMILESCC#CCCSc1nc(C)cc(N)n1
InChIInChI=1S/C10H13N3S/c1-3-4-5-6-14-10-12-8(2)7-9(11)13-10/h7H,5-6H2,1-2H3,(H2,11,12,13)
InChIKeyOURNODNGDYLUKC-UHFFFAOYSA-N
MW207.30 g/mol
LogP1.87
Rot. Bonds3

About 6-methyl-2-pent-3-ynylsulfanylpyrimidin-4-amine

6-methyl-2-pent-3-ynylsulfanylpyrimidin-4-amine (PubChem CID 104744126) has the molecular formula C10H13N3S and a molecular weight of 207.30 g/mol. Its IUPAC name is 6-methyl-2-pent-3-ynylsulfanylpyrimidin-4-amine.

Molecular Properties

Compound Name6-methyl-2-pent-3-ynylsulfanylpyrimidin-4-amine
PubChem CID104744126
Molecular FormulaC10H13N3S
Molecular Weight207.30 g/mol
Exact Mass207.08
IUPAC Name6-methyl-2-pent-3-ynylsulfanylpyrimidin-4-amine
SMILESCC#CCCSc1nc(C)cc(N)n1
InChIInChI=1S/C10H13N3S/c1-3-4-5-6-14-10-12-8(2)7-9(11)13-10/h7H,5-6H2,1-2H3,(H2,11,12,13)
InChIKeyOURNODNGDYLUKC-UHFFFAOYSA-N
XLogP1.87
TPSA51.80 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500207.30
LogP ≤ 51.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 6-methyl-2-pent-3-ynylsulfanylpyrimidin-4-amine?
The IUPAC name of 6-methyl-2-pent-3-ynylsulfanylpyrimidin-4-amine (CID 104744126) is 6-methyl-2-pent-3-ynylsulfanylpyrimidin-4-amine.
What is the SMILES notation for 6-methyl-2-pent-3-ynylsulfanylpyrimidin-4-amine?
The canonical SMILES for 6-methyl-2-pent-3-ynylsulfanylpyrimidin-4-amine is CC#CCCSc1nc(C)cc(N)n1.
What is the InChIKey of 6-methyl-2-pent-3-ynylsulfanylpyrimidin-4-amine?
The InChIKey is OURNODNGDYLUKC-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13N3S/c1-3-4-5-6-14-10-12-8(2)7-9(11)13-10/h7H,5-6H2,1-2H3,(H2,11,12,13).
What are the key properties of 6-methyl-2-pent-3-ynylsulfanylpyrimidin-4-amine?
6-methyl-2-pent-3-ynylsulfanylpyrimidin-4-amine has a molecular weight of 207.30 g/mol, XLogP of 1.87, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-methyl-2-pent-3-ynylsulfanylpyrimidin-4-amine is sourced from PubChem (CID 104744126), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).