(2S,3S)-3-methyl-1-pyrimidin-2-ylsulfanylpentan-2-amine

C10H17N3S — CID 97052582

IUPAC(2S,3S)-3-methyl-1-pyrimidin-2-ylsulfanylpentan-2-amine
SMILESCC[C@H](C)[C@H](N)CSc1ncccn1
InChIInChI=1S/C10H17N3S/c1-3-8(2)9(11)7-14-10-12-5-4-6-13-10/h4-6,8-9H,3,7,11H2,1-2H3/t8-,9+/m0/s1
InChIKeySFKLTUQISSYCQY-DTWKUNHWSA-N
MW211.33 g/mol
LogP1.94
Rot. Bonds5

About (2S,3S)-3-methyl-1-pyrimidin-2-ylsulfanylpentan-2-amine

(2S,3S)-3-methyl-1-pyrimidin-2-ylsulfanylpentan-2-amine (PubChem CID 97052582) has the molecular formula C10H17N3S and a molecular weight of 211.33 g/mol. Its IUPAC name is (2S,3S)-3-methyl-1-pyrimidin-2-ylsulfanylpentan-2-amine.

Molecular Properties

Compound Name(2S,3S)-3-methyl-1-pyrimidin-2-ylsulfanylpentan-2-amine
PubChem CID97052582
Molecular FormulaC10H17N3S
Molecular Weight211.33 g/mol
Exact Mass211.11
IUPAC Name(2S,3S)-3-methyl-1-pyrimidin-2-ylsulfanylpentan-2-amine
SMILESCC[C@H](C)[C@H](N)CSc1ncccn1
InChIInChI=1S/C10H17N3S/c1-3-8(2)9(11)7-14-10-12-5-4-6-13-10/h4-6,8-9H,3,7,11H2,1-2H3/t8-,9+/m0/s1
InChIKeySFKLTUQISSYCQY-DTWKUNHWSA-N
XLogP1.94
TPSA51.80 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500211.33
LogP ≤ 51.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of (2S,3S)-3-methyl-1-pyrimidin-2-ylsulfanylpentan-2-amine?
The IUPAC name of (2S,3S)-3-methyl-1-pyrimidin-2-ylsulfanylpentan-2-amine (CID 97052582) is (2S,3S)-3-methyl-1-pyrimidin-2-ylsulfanylpentan-2-amine.
What is the SMILES notation for (2S,3S)-3-methyl-1-pyrimidin-2-ylsulfanylpentan-2-amine?
The canonical SMILES for (2S,3S)-3-methyl-1-pyrimidin-2-ylsulfanylpentan-2-amine is CC[C@H](C)[C@H](N)CSc1ncccn1.
What is the InChIKey of (2S,3S)-3-methyl-1-pyrimidin-2-ylsulfanylpentan-2-amine?
The InChIKey is SFKLTUQISSYCQY-DTWKUNHWSA-N. The full InChI is InChI=1S/C10H17N3S/c1-3-8(2)9(11)7-14-10-12-5-4-6-13-10/h4-6,8-9H,3,7,11H2,1-2H3/t8-,9+/m0/s1.
What are the key properties of (2S,3S)-3-methyl-1-pyrimidin-2-ylsulfanylpentan-2-amine?
(2S,3S)-3-methyl-1-pyrimidin-2-ylsulfanylpentan-2-amine has a molecular weight of 211.33 g/mol, XLogP of 1.94, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2S,3S)-3-methyl-1-pyrimidin-2-ylsulfanylpentan-2-amine is sourced from PubChem (CID 97052582), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).