4-N-[1-(furan-2-yl)ethyl]-2-methylsulfanyl-6-N-propylpyrimidine-4,6-diamine

C14H20N4OS — CID 80781855

IUPAC4-N-[1-(furan-2-yl)ethyl]-2-methylsulfanyl-6-N-propylpyrimidine-4,6-diamine
SMILESCCCNc1cc(NC(C)c2ccco2)nc(SC)n1
InChIInChI=1S/C14H20N4OS/c1-4-7-15-12-9-13(18-14(17-12)20-3)16-10(2)11-6-5-8-19-11/h5-6,8-10H,4,7H2,1-3H3,(H2,15,16,17,18)
InChIKeyUQDOOMTVHBIKDW-UHFFFAOYSA-N
MW292.41 g/mol
LogP3.79
Rot. Bonds7

About 4-N-[1-(furan-2-yl)ethyl]-2-methylsulfanyl-6-N-propylpyrimidine-4,6-diamine

4-N-[1-(furan-2-yl)ethyl]-2-methylsulfanyl-6-N-propylpyrimidine-4,6-diamine (PubChem CID 80781855) has the molecular formula C14H20N4OS and a molecular weight of 292.41 g/mol. Its IUPAC name is 4-N-[1-(furan-2-yl)ethyl]-2-methylsulfanyl-6-N-propylpyrimidine-4,6-diamine.

Molecular Properties

Compound Name4-N-[1-(furan-2-yl)ethyl]-2-methylsulfanyl-6-N-propylpyrimidine-4,6-diamine
PubChem CID80781855
Molecular FormulaC14H20N4OS
Molecular Weight292.41 g/mol
Exact Mass292.14
IUPAC Name4-N-[1-(furan-2-yl)ethyl]-2-methylsulfanyl-6-N-propylpyrimidine-4,6-diamine
SMILESCCCNc1cc(NC(C)c2ccco2)nc(SC)n1
InChIInChI=1S/C14H20N4OS/c1-4-7-15-12-9-13(18-14(17-12)20-3)16-10(2)11-6-5-8-19-11/h5-6,8-10H,4,7H2,1-3H3,(H2,15,16,17,18)
InChIKeyUQDOOMTVHBIKDW-UHFFFAOYSA-N
XLogP3.79
TPSA62.98 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.41
LogP ≤ 53.79
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

6-N-methyl-2-methylsulfanyl-4-N-propylpyrimidine-4,6-diamine
CID 80765356
2-methylsulfanyl-6-N-propyl-4-N-[1-(1,3-thiazol-2-yl)ethyl]pyrimidine-4,6-diamine
CID 80845107
2-[[2-methylsulfanyl-6-(propylamino)pyrimidin-4-yl]amino]butan-1-ol
CID 80780195
4-[[2-methylsulfanyl-6-(propylamino)pyrimidin-4-yl]amino]pentan-1-ol
CID 80852755
2-methylsulfanyl-4-N-(2-methylsulfanylethyl)-6-N-propylpyrimidine-4,6-diamine
CID 80838992
5-[[2-methylsulfanyl-6-(propylamino)pyrimidin-4-yl]amino]pentan-2-ol
CID 106138292
6-N-ethyl-4-N-(furan-2-ylmethyl)-2-methylsulfanylpyrimidine-4,6-diamine
CID 80765455
4-N-(1-cyclopropylbutan-2-yl)-2-methylsulfanyl-6-N-propylpyrimidine-4,6-diamine
CID 80835871
6-(3-methylphenyl)sulfanyl-2-methylsulfanyl-N-propylpyrimidin-4-amine
CID 80885590
6-(3-methylbutan-2-ylsulfanyl)-2-methylsulfanyl-N-propylpyrimidin-4-amine
CID 107765595
2-methylsulfanyl-6-N-propyl-4-N-(pyridin-2-ylmethyl)pyrimidine-4,6-diamine
CID 80778062
4-N-(3-methylphenyl)-2-methylsulfanyl-6-N-propylpyrimidine-4,6-diamine
CID 80755461

Frequently Asked Questions

What is the IUPAC name of 4-N-[1-(furan-2-yl)ethyl]-2-methylsulfanyl-6-N-propylpyrimidine-4,6-diamine?
The IUPAC name of 4-N-[1-(furan-2-yl)ethyl]-2-methylsulfanyl-6-N-propylpyrimidine-4,6-diamine (CID 80781855) is 4-N-[1-(furan-2-yl)ethyl]-2-methylsulfanyl-6-N-propylpyrimidine-4,6-diamine.
What is the SMILES notation for 4-N-[1-(furan-2-yl)ethyl]-2-methylsulfanyl-6-N-propylpyrimidine-4,6-diamine?
The canonical SMILES for 4-N-[1-(furan-2-yl)ethyl]-2-methylsulfanyl-6-N-propylpyrimidine-4,6-diamine is CCCNc1cc(NC(C)c2ccco2)nc(SC)n1.
What is the InChIKey of 4-N-[1-(furan-2-yl)ethyl]-2-methylsulfanyl-6-N-propylpyrimidine-4,6-diamine?
The InChIKey is UQDOOMTVHBIKDW-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20N4OS/c1-4-7-15-12-9-13(18-14(17-12)20-3)16-10(2)11-6-5-8-19-11/h5-6,8-10H,4,7H2,1-3H3,(H2,15,16,17,18).
What are the key properties of 4-N-[1-(furan-2-yl)ethyl]-2-methylsulfanyl-6-N-propylpyrimidine-4,6-diamine?
4-N-[1-(furan-2-yl)ethyl]-2-methylsulfanyl-6-N-propylpyrimidine-4,6-diamine has a molecular weight of 292.41 g/mol, XLogP of 3.79, 7 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-N-[1-(furan-2-yl)ethyl]-2-methylsulfanyl-6-N-propylpyrimidine-4,6-diamine is sourced from PubChem (CID 80781855), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).