6-methoxy-5-[(2-methylsulfanylpropylamino)methyl]pyrimidin-4-amine

C10H18N4OS — CID 75387565

IUPAC6-methoxy-5-[(2-methylsulfanylpropylamino)methyl]pyrimidin-4-amine
SMILESCOc1ncnc(N)c1CNCC(C)SC
InChIInChI=1S/C10H18N4OS/c1-7(16-3)4-12-5-8-9(11)13-6-14-10(8)15-2/h6-7,12H,4-5H2,1-3H3,(H2,11,13,14)
InChIKeyVWGVHQOWZAPKHH-UHFFFAOYSA-N
MW242.35 g/mol
LogP0.91
Rot. Bonds6

About 6-methoxy-5-[(2-methylsulfanylpropylamino)methyl]pyrimidin-4-amine

6-methoxy-5-[(2-methylsulfanylpropylamino)methyl]pyrimidin-4-amine (PubChem CID 75387565) has the molecular formula C10H18N4OS and a molecular weight of 242.35 g/mol. Its IUPAC name is 6-methoxy-5-[(2-methylsulfanylpropylamino)methyl]pyrimidin-4-amine.

Molecular Properties

Compound Name6-methoxy-5-[(2-methylsulfanylpropylamino)methyl]pyrimidin-4-amine
PubChem CID75387565
Molecular FormulaC10H18N4OS
Molecular Weight242.35 g/mol
Exact Mass242.12
IUPAC Name6-methoxy-5-[(2-methylsulfanylpropylamino)methyl]pyrimidin-4-amine
SMILESCOc1ncnc(N)c1CNCC(C)SC
InChIInChI=1S/C10H18N4OS/c1-7(16-3)4-12-5-8-9(11)13-6-14-10(8)15-2/h6-7,12H,4-5H2,1-3H3,(H2,11,13,14)
InChIKeyVWGVHQOWZAPKHH-UHFFFAOYSA-N
XLogP0.91
TPSA73.06 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.35
LogP ≤ 50.91
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 6-methoxy-5-[(2-methylsulfanylpropylamino)methyl]pyrimidin-4-amine?
The IUPAC name of 6-methoxy-5-[(2-methylsulfanylpropylamino)methyl]pyrimidin-4-amine (CID 75387565) is 6-methoxy-5-[(2-methylsulfanylpropylamino)methyl]pyrimidin-4-amine.
What is the SMILES notation for 6-methoxy-5-[(2-methylsulfanylpropylamino)methyl]pyrimidin-4-amine?
The canonical SMILES for 6-methoxy-5-[(2-methylsulfanylpropylamino)methyl]pyrimidin-4-amine is COc1ncnc(N)c1CNCC(C)SC.
What is the InChIKey of 6-methoxy-5-[(2-methylsulfanylpropylamino)methyl]pyrimidin-4-amine?
The InChIKey is VWGVHQOWZAPKHH-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H18N4OS/c1-7(16-3)4-12-5-8-9(11)13-6-14-10(8)15-2/h6-7,12H,4-5H2,1-3H3,(H2,11,13,14).
What are the key properties of 6-methoxy-5-[(2-methylsulfanylpropylamino)methyl]pyrimidin-4-amine?
6-methoxy-5-[(2-methylsulfanylpropylamino)methyl]pyrimidin-4-amine has a molecular weight of 242.35 g/mol, XLogP of 0.91, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6-methoxy-5-[(2-methylsulfanylpropylamino)methyl]pyrimidin-4-amine is sourced from PubChem (CID 75387565), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).