N,N,6-trimethyl-2-propan-2-ylsulfanylpyrimidin-4-amine

C10H17N3S — CID 660772

IUPACN,N,6-trimethyl-2-propan-2-ylsulfanylpyrimidin-4-amine
SMILESCc1cc(N(C)C)nc(SC(C)C)n1
InChIInChI=1S/C10H17N3S/c1-7(2)14-10-11-8(3)6-9(12-10)13(4)5/h6-7H,1-5H3
InChIKeySVGPWEJFRMEERM-UHFFFAOYSA-N
MW211.33 g/mol
LogP2.35
Rot. Bonds3

About N,N,6-trimethyl-2-propan-2-ylsulfanylpyrimidin-4-amine

N,N,6-trimethyl-2-propan-2-ylsulfanylpyrimidin-4-amine (PubChem CID 660772) has the molecular formula C10H17N3S and a molecular weight of 211.33 g/mol. Its IUPAC name is N,N,6-trimethyl-2-propan-2-ylsulfanylpyrimidin-4-amine.

Molecular Properties

Compound NameN,N,6-trimethyl-2-propan-2-ylsulfanylpyrimidin-4-amine
PubChem CID660772
Molecular FormulaC10H17N3S
Molecular Weight211.33 g/mol
Exact Mass211.11
IUPAC NameN,N,6-trimethyl-2-propan-2-ylsulfanylpyrimidin-4-amine
SMILESCc1cc(N(C)C)nc(SC(C)C)n1
InChIInChI=1S/C10H17N3S/c1-7(2)14-10-11-8(3)6-9(12-10)13(4)5/h6-7H,1-5H3
InChIKeySVGPWEJFRMEERM-UHFFFAOYSA-N
XLogP2.35
TPSA29.02 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500211.33
LogP ≤ 52.35
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N,N,6-trimethyl-2-propan-2-ylsulfanylpyrimidin-4-amine?
The IUPAC name of N,N,6-trimethyl-2-propan-2-ylsulfanylpyrimidin-4-amine (CID 660772) is N,N,6-trimethyl-2-propan-2-ylsulfanylpyrimidin-4-amine.
What is the SMILES notation for N,N,6-trimethyl-2-propan-2-ylsulfanylpyrimidin-4-amine?
The canonical SMILES for N,N,6-trimethyl-2-propan-2-ylsulfanylpyrimidin-4-amine is Cc1cc(N(C)C)nc(SC(C)C)n1.
What is the InChIKey of N,N,6-trimethyl-2-propan-2-ylsulfanylpyrimidin-4-amine?
The InChIKey is SVGPWEJFRMEERM-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H17N3S/c1-7(2)14-10-11-8(3)6-9(12-10)13(4)5/h6-7H,1-5H3.
What are the key properties of N,N,6-trimethyl-2-propan-2-ylsulfanylpyrimidin-4-amine?
N,N,6-trimethyl-2-propan-2-ylsulfanylpyrimidin-4-amine has a molecular weight of 211.33 g/mol, XLogP of 2.35, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N,N,6-trimethyl-2-propan-2-ylsulfanylpyrimidin-4-amine is sourced from PubChem (CID 660772), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).