6-methoxy-4-N-(2-prop-2-ynylsulfanylethyl)pyrimidine-2,4-diamine

C10H14N4OS — CID 106433895

IUPAC6-methoxy-4-N-(2-prop-2-ynylsulfanylethyl)pyrimidine-2,4-diamine
SMILESC#CCSCCNc1cc(OC)nc(N)n1
InChIInChI=1S/C10H14N4OS/c1-3-5-16-6-4-12-8-7-9(15-2)14-10(11)13-8/h1,7H,4-6H2,2H3,(H3,11,12,13,14)
InChIKeyOVAPYQCWBFGWEY-UHFFFAOYSA-N
MW238.32 g/mol
LogP0.85
Rot. Bonds6

About 6-methoxy-4-N-(2-prop-2-ynylsulfanylethyl)pyrimidine-2,4-diamine

6-methoxy-4-N-(2-prop-2-ynylsulfanylethyl)pyrimidine-2,4-diamine (PubChem CID 106433895) has the molecular formula C10H14N4OS and a molecular weight of 238.32 g/mol. Its IUPAC name is 6-methoxy-4-N-(2-prop-2-ynylsulfanylethyl)pyrimidine-2,4-diamine.

Molecular Properties

Compound Name6-methoxy-4-N-(2-prop-2-ynylsulfanylethyl)pyrimidine-2,4-diamine
PubChem CID106433895
Molecular FormulaC10H14N4OS
Molecular Weight238.32 g/mol
Exact Mass238.09
IUPAC Name6-methoxy-4-N-(2-prop-2-ynylsulfanylethyl)pyrimidine-2,4-diamine
SMILESC#CCSCCNc1cc(OC)nc(N)n1
InChIInChI=1S/C10H14N4OS/c1-3-5-16-6-4-12-8-7-9(15-2)14-10(11)13-8/h1,7H,4-6H2,2H3,(H3,11,12,13,14)
InChIKeyOVAPYQCWBFGWEY-UHFFFAOYSA-N
XLogP0.85
TPSA73.06 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.32
LogP ≤ 50.85
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

4-N-dodecyl-6-methoxypyrimidine-2,4-diamine
CID 91378772
6-methoxy-4-N-nonylpyrimidine-2,4-diamine
CID 91451166
6-methoxy-4-N-nonadecylpyrimidine-2,4-diamine
CID 91279272
6-[(2-amino-6-methoxypyrimidin-4-yl)amino]hexan-1-ol
CID 114053267
6-methoxy-4-N-[2-(triazol-1-yl)ethyl]pyrimidine-2,4-diamine
CID 114053221
6-[(2-methylpropan-2-yl)oxy]-4-N-propylpyrimidine-2,4-diamine
CID 80861882
5-methyl-N-(2-prop-2-ynylsulfanylethyl)pyridazin-3-amine
CID 106430681
4-N-hex-1-yn-3-yl-6-methoxypyrimidine-2,4-diamine
CID 106233119
4-N-[[1-(dimethylamino)cyclobutyl]methyl]-6-methoxypyrimidine-2,4-diamine
CID 114053245
6-methoxy-4-N-[2-(oxolan-3-yl)ethyl]pyrimidine-2,4-diamine
CID 114131179
5-N-(2-prop-2-ynylsulfanylethyl)-1,2,4-thiadiazole-3,5-diamine
CID 106433856
5-methyl-N-(2-prop-2-ynylsulfanylethyl)pyridin-2-amine
CID 103703360

Frequently Asked Questions

What is the IUPAC name of 6-methoxy-4-N-(2-prop-2-ynylsulfanylethyl)pyrimidine-2,4-diamine?
The IUPAC name of 6-methoxy-4-N-(2-prop-2-ynylsulfanylethyl)pyrimidine-2,4-diamine (CID 106433895) is 6-methoxy-4-N-(2-prop-2-ynylsulfanylethyl)pyrimidine-2,4-diamine.
What is the SMILES notation for 6-methoxy-4-N-(2-prop-2-ynylsulfanylethyl)pyrimidine-2,4-diamine?
The canonical SMILES for 6-methoxy-4-N-(2-prop-2-ynylsulfanylethyl)pyrimidine-2,4-diamine is C#CCSCCNc1cc(OC)nc(N)n1.
What is the InChIKey of 6-methoxy-4-N-(2-prop-2-ynylsulfanylethyl)pyrimidine-2,4-diamine?
The InChIKey is OVAPYQCWBFGWEY-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14N4OS/c1-3-5-16-6-4-12-8-7-9(15-2)14-10(11)13-8/h1,7H,4-6H2,2H3,(H3,11,12,13,14).
What are the key properties of 6-methoxy-4-N-(2-prop-2-ynylsulfanylethyl)pyrimidine-2,4-diamine?
6-methoxy-4-N-(2-prop-2-ynylsulfanylethyl)pyrimidine-2,4-diamine has a molecular weight of 238.32 g/mol, XLogP of 0.85, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6-methoxy-4-N-(2-prop-2-ynylsulfanylethyl)pyrimidine-2,4-diamine is sourced from PubChem (CID 106433895), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).