6-tert-butyl-2-(methylsulfanylmethyl)pyrimidin-4-amine

C10H17N3S — CID 62693647

IUPAC6-tert-butyl-2-(methylsulfanylmethyl)pyrimidin-4-amine
SMILESCSCc1nc(N)cc(C(C)(C)C)n1
InChIInChI=1S/C10H17N3S/c1-10(2,3)7-5-8(11)13-9(12-7)6-14-4/h5H,6H2,1-4H3,(H2,11,12,13)
InChIKeyMGMWEVWBTNXZLY-UHFFFAOYSA-N
MW211.33 g/mol
LogP2.22
Rot. Bonds2

About 6-tert-butyl-2-(methylsulfanylmethyl)pyrimidin-4-amine

6-tert-butyl-2-(methylsulfanylmethyl)pyrimidin-4-amine (PubChem CID 62693647) has the molecular formula C10H17N3S and a molecular weight of 211.33 g/mol. Its IUPAC name is 6-tert-butyl-2-(methylsulfanylmethyl)pyrimidin-4-amine.

Molecular Properties

Compound Name6-tert-butyl-2-(methylsulfanylmethyl)pyrimidin-4-amine
PubChem CID62693647
Molecular FormulaC10H17N3S
Molecular Weight211.33 g/mol
Exact Mass211.11
IUPAC Name6-tert-butyl-2-(methylsulfanylmethyl)pyrimidin-4-amine
SMILESCSCc1nc(N)cc(C(C)(C)C)n1
InChIInChI=1S/C10H17N3S/c1-10(2,3)7-5-8(11)13-9(12-7)6-14-4/h5H,6H2,1-4H3,(H2,11,12,13)
InChIKeyMGMWEVWBTNXZLY-UHFFFAOYSA-N
XLogP2.22
TPSA51.80 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500211.33
LogP ≤ 52.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 6-tert-butyl-2-(methylsulfanylmethyl)pyrimidin-4-amine?
The IUPAC name of 6-tert-butyl-2-(methylsulfanylmethyl)pyrimidin-4-amine (CID 62693647) is 6-tert-butyl-2-(methylsulfanylmethyl)pyrimidin-4-amine.
What is the SMILES notation for 6-tert-butyl-2-(methylsulfanylmethyl)pyrimidin-4-amine?
The canonical SMILES for 6-tert-butyl-2-(methylsulfanylmethyl)pyrimidin-4-amine is CSCc1nc(N)cc(C(C)(C)C)n1.
What is the InChIKey of 6-tert-butyl-2-(methylsulfanylmethyl)pyrimidin-4-amine?
The InChIKey is MGMWEVWBTNXZLY-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H17N3S/c1-10(2,3)7-5-8(11)13-9(12-7)6-14-4/h5H,6H2,1-4H3,(H2,11,12,13).
What are the key properties of 6-tert-butyl-2-(methylsulfanylmethyl)pyrimidin-4-amine?
6-tert-butyl-2-(methylsulfanylmethyl)pyrimidin-4-amine has a molecular weight of 211.33 g/mol, XLogP of 2.22, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-tert-butyl-2-(methylsulfanylmethyl)pyrimidin-4-amine is sourced from PubChem (CID 62693647), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).