2-pyrimidin-2-ylsulfanylpentan-3-amine

C9H15N3S — CID 64649818

IUPAC2-pyrimidin-2-ylsulfanylpentan-3-amine
SMILESCCC(N)C(C)Sc1ncccn1
InChIInChI=1S/C9H15N3S/c1-3-8(10)7(2)13-9-11-5-4-6-12-9/h4-8H,3,10H2,1-2H3
InChIKeyPCQUXJTYMBGJTH-UHFFFAOYSA-N
MW197.31 g/mol
LogP1.69
Rot. Bonds4

About 2-pyrimidin-2-ylsulfanylpentan-3-amine

2-pyrimidin-2-ylsulfanylpentan-3-amine (PubChem CID 64649818) has the molecular formula C9H15N3S and a molecular weight of 197.31 g/mol. Its IUPAC name is 2-pyrimidin-2-ylsulfanylpentan-3-amine.

Molecular Properties

Compound Name2-pyrimidin-2-ylsulfanylpentan-3-amine
PubChem CID64649818
Molecular FormulaC9H15N3S
Molecular Weight197.31 g/mol
Exact Mass197.10
IUPAC Name2-pyrimidin-2-ylsulfanylpentan-3-amine
SMILESCCC(N)C(C)Sc1ncccn1
InChIInChI=1S/C9H15N3S/c1-3-8(10)7(2)13-9-11-5-4-6-12-9/h4-8H,3,10H2,1-2H3
InChIKeyPCQUXJTYMBGJTH-UHFFFAOYSA-N
XLogP1.69
TPSA51.80 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500197.31
LogP ≤ 51.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-pyrimidin-2-ylsulfanylpentan-3-amine?
The IUPAC name of 2-pyrimidin-2-ylsulfanylpentan-3-amine (CID 64649818) is 2-pyrimidin-2-ylsulfanylpentan-3-amine.
What is the SMILES notation for 2-pyrimidin-2-ylsulfanylpentan-3-amine?
The canonical SMILES for 2-pyrimidin-2-ylsulfanylpentan-3-amine is CCC(N)C(C)Sc1ncccn1.
What is the InChIKey of 2-pyrimidin-2-ylsulfanylpentan-3-amine?
The InChIKey is PCQUXJTYMBGJTH-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H15N3S/c1-3-8(10)7(2)13-9-11-5-4-6-12-9/h4-8H,3,10H2,1-2H3.
What are the key properties of 2-pyrimidin-2-ylsulfanylpentan-3-amine?
2-pyrimidin-2-ylsulfanylpentan-3-amine has a molecular weight of 197.31 g/mol, XLogP of 1.69, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-pyrimidin-2-ylsulfanylpentan-3-amine is sourced from PubChem (CID 64649818), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).