(2S)-1-(4-methylpyrimidin-2-yl)sulfanylpropan-2-amine

C8H13N3S — CID 104889205

IUPAC(2S)-1-(4-methylpyrimidin-2-yl)sulfanylpropan-2-amine
SMILESCc1ccnc(SC[C@H](C)N)n1
InChIInChI=1S/C8H13N3S/c1-6(9)5-12-8-10-4-3-7(2)11-8/h3-4,6H,5,9H2,1-2H3/t6-/m0/s1
InChIKeyBTXAEVRLAWGZEW-LURJTMIESA-N
MW183.28 g/mol
LogP1.22
Rot. Bonds3

About (2S)-1-(4-methylpyrimidin-2-yl)sulfanylpropan-2-amine

(2S)-1-(4-methylpyrimidin-2-yl)sulfanylpropan-2-amine (PubChem CID 104889205) has the molecular formula C8H13N3S and a molecular weight of 183.28 g/mol. Its IUPAC name is (2S)-1-(4-methylpyrimidin-2-yl)sulfanylpropan-2-amine.

Molecular Properties

Compound Name(2S)-1-(4-methylpyrimidin-2-yl)sulfanylpropan-2-amine
PubChem CID104889205
Molecular FormulaC8H13N3S
Molecular Weight183.28 g/mol
Exact Mass183.08
IUPAC Name(2S)-1-(4-methylpyrimidin-2-yl)sulfanylpropan-2-amine
SMILESCc1ccnc(SC[C@H](C)N)n1
InChIInChI=1S/C8H13N3S/c1-6(9)5-12-8-10-4-3-7(2)11-8/h3-4,6H,5,9H2,1-2H3/t6-/m0/s1
InChIKeyBTXAEVRLAWGZEW-LURJTMIESA-N
XLogP1.22
TPSA51.80 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500183.28
LogP ≤ 51.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-(4-methylpyrimidin-2-yl)sulfanyl-1-phenylethanamine
CID 55241697
2-amino-3-(4-methylpyrimidin-2-yl)sulfanylpropanamide
CID 62269830
2-(2-bromo-3,3,3-trifluoropropyl)sulfanyl-4-methylpyrimidine
CID 64757135
4-methyl-2-[5-(4-methylpyrimidin-2-yl)sulfanylpentylsulfanyl]pyrimidine
CID 166190130
2-(4-methylpyrimidin-2-yl)sulfanylpropan-1-amine
CID 62269446
N-methyl-1-(4-methylphenyl)-2-(4-methylpyrimidin-2-yl)sulfanylethanamine
CID 64633477
2-(methylamino)-3-(4-methylpyrimidin-2-yl)sulfanylpropanoic acid
CID 62269637
1-cyclopentyl-N-methyl-2-(4-methylpyrimidin-2-yl)sulfanylethanamine
CID 104755526
4-methyl-2-[[2-[(4-methylpyrimidin-2-yl)sulfanylmethyl]phenyl]methylsulfanyl]pyrimidine
CID 1046861
4-(4-methylpyrimidin-2-yl)sulfanyl-N-propan-2-ylbutan-1-amine
CID 62581708
4-[(4-methylpyrimidin-2-yl)sulfanylmethyl]-1,3-thiazol-2-amine
CID 62268712
potassium trifluoro-[(4-methylpyrimidin-2-yl)sulfanylmethyl]boranuide
CID 63702617

Frequently Asked Questions

What is the IUPAC name of (2S)-1-(4-methylpyrimidin-2-yl)sulfanylpropan-2-amine?
The IUPAC name of (2S)-1-(4-methylpyrimidin-2-yl)sulfanylpropan-2-amine (CID 104889205) is (2S)-1-(4-methylpyrimidin-2-yl)sulfanylpropan-2-amine.
What is the SMILES notation for (2S)-1-(4-methylpyrimidin-2-yl)sulfanylpropan-2-amine?
The canonical SMILES for (2S)-1-(4-methylpyrimidin-2-yl)sulfanylpropan-2-amine is Cc1ccnc(SC[C@H](C)N)n1.
What is the InChIKey of (2S)-1-(4-methylpyrimidin-2-yl)sulfanylpropan-2-amine?
The InChIKey is BTXAEVRLAWGZEW-LURJTMIESA-N. The full InChI is InChI=1S/C8H13N3S/c1-6(9)5-12-8-10-4-3-7(2)11-8/h3-4,6H,5,9H2,1-2H3/t6-/m0/s1.
What are the key properties of (2S)-1-(4-methylpyrimidin-2-yl)sulfanylpropan-2-amine?
(2S)-1-(4-methylpyrimidin-2-yl)sulfanylpropan-2-amine has a molecular weight of 183.28 g/mol, XLogP of 1.22, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-1-(4-methylpyrimidin-2-yl)sulfanylpropan-2-amine is sourced from PubChem (CID 104889205), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).