2-[1-(dimethylamino)propan-2-ylsulfanyl]-6-methylpyrimidin-4-amine

C10H18N4S — CID 3908136

IUPAC2-[1-(dimethylamino)propan-2-ylsulfanyl]-6-methylpyrimidin-4-amine
SMILESCc1cc(N)nc(SC(C)CN(C)C)n1
InChIInChI=1S/C10H18N4S/c1-7-5-9(11)13-10(12-7)15-8(2)6-14(3)4/h5,8H,6H2,1-4H3,(H2,11,12,13)
InChIKeyROGJPTJVNYZJBP-UHFFFAOYSA-N
MW226.35 g/mol
LogP1.41
Rot. Bonds4

About 2-[1-(dimethylamino)propan-2-ylsulfanyl]-6-methylpyrimidin-4-amine

2-[1-(dimethylamino)propan-2-ylsulfanyl]-6-methylpyrimidin-4-amine (PubChem CID 3908136) has the molecular formula C10H18N4S and a molecular weight of 226.35 g/mol. Its IUPAC name is 2-[1-(dimethylamino)propan-2-ylsulfanyl]-6-methylpyrimidin-4-amine.

Molecular Properties

Compound Name2-[1-(dimethylamino)propan-2-ylsulfanyl]-6-methylpyrimidin-4-amine
PubChem CID3908136
Molecular FormulaC10H18N4S
Molecular Weight226.35 g/mol
Exact Mass226.13
IUPAC Name2-[1-(dimethylamino)propan-2-ylsulfanyl]-6-methylpyrimidin-4-amine
SMILESCc1cc(N)nc(SC(C)CN(C)C)n1
InChIInChI=1S/C10H18N4S/c1-7-5-9(11)13-10(12-7)15-8(2)6-14(3)4/h5,8H,6H2,1-4H3,(H2,11,12,13)
InChIKeyROGJPTJVNYZJBP-UHFFFAOYSA-N
XLogP1.41
TPSA55.04 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500226.35
LogP ≤ 51.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-[1-(dimethylamino)propan-2-ylsulfanyl]-6-methylpyrimidin-4-amine?
The IUPAC name of 2-[1-(dimethylamino)propan-2-ylsulfanyl]-6-methylpyrimidin-4-amine (CID 3908136) is 2-[1-(dimethylamino)propan-2-ylsulfanyl]-6-methylpyrimidin-4-amine.
What is the SMILES notation for 2-[1-(dimethylamino)propan-2-ylsulfanyl]-6-methylpyrimidin-4-amine?
The canonical SMILES for 2-[1-(dimethylamino)propan-2-ylsulfanyl]-6-methylpyrimidin-4-amine is Cc1cc(N)nc(SC(C)CN(C)C)n1.
What is the InChIKey of 2-[1-(dimethylamino)propan-2-ylsulfanyl]-6-methylpyrimidin-4-amine?
The InChIKey is ROGJPTJVNYZJBP-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H18N4S/c1-7-5-9(11)13-10(12-7)15-8(2)6-14(3)4/h5,8H,6H2,1-4H3,(H2,11,12,13).
What are the key properties of 2-[1-(dimethylamino)propan-2-ylsulfanyl]-6-methylpyrimidin-4-amine?
2-[1-(dimethylamino)propan-2-ylsulfanyl]-6-methylpyrimidin-4-amine has a molecular weight of 226.35 g/mol, XLogP of 1.41, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-(dimethylamino)propan-2-ylsulfanyl]-6-methylpyrimidin-4-amine is sourced from PubChem (CID 3908136), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).