2-(3-methylbutan-2-ylsulfanyl)pyrimidin-5-amine

C9H15N3S — CID 107747818

IUPAC2-(3-methylbutan-2-ylsulfanyl)pyrimidin-5-amine
SMILESCC(C)C(C)Sc1ncc(N)cn1
InChIInChI=1S/C9H15N3S/c1-6(2)7(3)13-9-11-4-8(10)5-12-9/h4-7H,10H2,1-3H3
InChIKeyBECNKVQGIMINCH-UHFFFAOYSA-N
MW197.31 g/mol
LogP2.20
Rot. Bonds3

About 2-(3-methylbutan-2-ylsulfanyl)pyrimidin-5-amine

2-(3-methylbutan-2-ylsulfanyl)pyrimidin-5-amine (PubChem CID 107747818) has the molecular formula C9H15N3S and a molecular weight of 197.31 g/mol. Its IUPAC name is 2-(3-methylbutan-2-ylsulfanyl)pyrimidin-5-amine.

Molecular Properties

Compound Name2-(3-methylbutan-2-ylsulfanyl)pyrimidin-5-amine
PubChem CID107747818
Molecular FormulaC9H15N3S
Molecular Weight197.31 g/mol
Exact Mass197.10
IUPAC Name2-(3-methylbutan-2-ylsulfanyl)pyrimidin-5-amine
SMILESCC(C)C(C)Sc1ncc(N)cn1
InChIInChI=1S/C9H15N3S/c1-6(2)7(3)13-9-11-4-8(10)5-12-9/h4-7H,10H2,1-3H3
InChIKeyBECNKVQGIMINCH-UHFFFAOYSA-N
XLogP2.20
TPSA51.80 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500197.31
LogP ≤ 52.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-(3-methylbutan-2-ylsulfanyl)pyrimidin-5-amine?
The IUPAC name of 2-(3-methylbutan-2-ylsulfanyl)pyrimidin-5-amine (CID 107747818) is 2-(3-methylbutan-2-ylsulfanyl)pyrimidin-5-amine.
What is the SMILES notation for 2-(3-methylbutan-2-ylsulfanyl)pyrimidin-5-amine?
The canonical SMILES for 2-(3-methylbutan-2-ylsulfanyl)pyrimidin-5-amine is CC(C)C(C)Sc1ncc(N)cn1.
What is the InChIKey of 2-(3-methylbutan-2-ylsulfanyl)pyrimidin-5-amine?
The InChIKey is BECNKVQGIMINCH-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H15N3S/c1-6(2)7(3)13-9-11-4-8(10)5-12-9/h4-7H,10H2,1-3H3.
What are the key properties of 2-(3-methylbutan-2-ylsulfanyl)pyrimidin-5-amine?
2-(3-methylbutan-2-ylsulfanyl)pyrimidin-5-amine has a molecular weight of 197.31 g/mol, XLogP of 2.20, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-methylbutan-2-ylsulfanyl)pyrimidin-5-amine is sourced from PubChem (CID 107747818), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).