2-amino-2-cyclopropyl-3-(5-methylpyrimidin-2-yl)sulfanylpropan-1-ol

C11H17N3OS — CID 64819233

IUPAC2-amino-2-cyclopropyl-3-(5-methylpyrimidin-2-yl)sulfanylpropan-1-ol
SMILESCc1cnc(SCC(N)(CO)C2CC2)nc1
InChIInChI=1S/C11H17N3OS/c1-8-4-13-10(14-5-8)16-7-11(12,6-15)9-2-3-9/h4-5,9,15H,2-3,6-7,12H2,1H3
InChIKeyWLDGQQUNMDGUBF-UHFFFAOYSA-N
MW239.34 g/mol
LogP0.98
Rot. Bonds5

About 2-amino-2-cyclopropyl-3-(5-methylpyrimidin-2-yl)sulfanylpropan-1-ol

2-amino-2-cyclopropyl-3-(5-methylpyrimidin-2-yl)sulfanylpropan-1-ol (PubChem CID 64819233) has the molecular formula C11H17N3OS and a molecular weight of 239.34 g/mol. Its IUPAC name is 2-amino-2-cyclopropyl-3-(5-methylpyrimidin-2-yl)sulfanylpropan-1-ol.

Molecular Properties

Compound Name2-amino-2-cyclopropyl-3-(5-methylpyrimidin-2-yl)sulfanylpropan-1-ol
PubChem CID64819233
Molecular FormulaC11H17N3OS
Molecular Weight239.34 g/mol
Exact Mass239.11
IUPAC Name2-amino-2-cyclopropyl-3-(5-methylpyrimidin-2-yl)sulfanylpropan-1-ol
SMILESCc1cnc(SCC(N)(CO)C2CC2)nc1
InChIInChI=1S/C11H17N3OS/c1-8-4-13-10(14-5-8)16-7-11(12,6-15)9-2-3-9/h4-5,9,15H,2-3,6-7,12H2,1H3
InChIKeyWLDGQQUNMDGUBF-UHFFFAOYSA-N
XLogP0.98
TPSA72.03 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.34
LogP ≤ 50.98
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

2-amino-2-cyclopropyl-3-(5-methylpyrimidin-2-yl)sulfanylpropanamide
CID 63918876
2-amino-2-cyclopropyl-3-pyrazin-2-ylsulfanylpropan-1-ol
CID 64805495
2-amino-3-(4-tert-butylphenyl)sulfanyl-2-cyclopropylpropan-1-ol
CID 64805810
2-amino-3-[(3-chloro-2-pyridinyl)sulfanyl]-2-cyclopropylpropan-1-ol
CID 64818640
2-amino-2-cyclopropyl-3-[(5-methylsulfanyl-1,3,4-thiadiazol-2-yl)sulfanyl]propan-1-ol
CID 115384262
methyl 2-cyclopropyl-2-(cyclopropylamino)-3-(5-methylpyrimidin-2-yl)sulfanylpropanoate
CID 63919069
3-[(5-methylpyrimidin-2-yl)sulfanylmethyl]pentan-3-ol
CID 115919561
2-amino-3-(2-chlorophenyl)sulfanyl-2-cyclopropylpropan-1-ol
CID 64807826
2-(cyclopropylamino)-2-methyl-4-(5-methylpyrimidin-2-yl)sulfanylbutan-1-ol
CID 64819014
2-(cyclopropylamino)-3-(5-methylpyrimidin-2-yl)sulfanylpropan-1-ol
CID 64821256
2-amino-2-cyclopropylbutan-1-ol
CID 64919158
1-cyclohexyl-2-(5-methylpyrimidin-2-yl)sulfanylethanamine
CID 104755796

Frequently Asked Questions

What is the IUPAC name of 2-amino-2-cyclopropyl-3-(5-methylpyrimidin-2-yl)sulfanylpropan-1-ol?
The IUPAC name of 2-amino-2-cyclopropyl-3-(5-methylpyrimidin-2-yl)sulfanylpropan-1-ol (CID 64819233) is 2-amino-2-cyclopropyl-3-(5-methylpyrimidin-2-yl)sulfanylpropan-1-ol.
What is the SMILES notation for 2-amino-2-cyclopropyl-3-(5-methylpyrimidin-2-yl)sulfanylpropan-1-ol?
The canonical SMILES for 2-amino-2-cyclopropyl-3-(5-methylpyrimidin-2-yl)sulfanylpropan-1-ol is Cc1cnc(SCC(N)(CO)C2CC2)nc1.
What is the InChIKey of 2-amino-2-cyclopropyl-3-(5-methylpyrimidin-2-yl)sulfanylpropan-1-ol?
The InChIKey is WLDGQQUNMDGUBF-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17N3OS/c1-8-4-13-10(14-5-8)16-7-11(12,6-15)9-2-3-9/h4-5,9,15H,2-3,6-7,12H2,1H3.
What are the key properties of 2-amino-2-cyclopropyl-3-(5-methylpyrimidin-2-yl)sulfanylpropan-1-ol?
2-amino-2-cyclopropyl-3-(5-methylpyrimidin-2-yl)sulfanylpropan-1-ol has a molecular weight of 239.34 g/mol, XLogP of 0.98, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-2-cyclopropyl-3-(5-methylpyrimidin-2-yl)sulfanylpropan-1-ol is sourced from PubChem (CID 64819233), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).