2-(cyclopropylamino)-2-methyl-3-pyrimidin-2-ylsulfanylpropan-1-ol

C11H17N3OS — CID 64807049

IUPAC2-(cyclopropylamino)-2-methyl-3-pyrimidin-2-ylsulfanylpropan-1-ol
SMILESCC(CO)(CSc1ncccn1)NC1CC1
InChIInChI=1S/C11H17N3OS/c1-11(7-15,14-9-3-4-9)8-16-10-12-5-2-6-13-10/h2,5-6,9,14-15H,3-4,7-8H2,1H3
InChIKeyRGWDEKNSKXOBEF-UHFFFAOYSA-N
MW239.34 g/mol
LogP1.07
Rot. Bonds6

About 2-(cyclopropylamino)-2-methyl-3-pyrimidin-2-ylsulfanylpropan-1-ol

2-(cyclopropylamino)-2-methyl-3-pyrimidin-2-ylsulfanylpropan-1-ol (PubChem CID 64807049) has the molecular formula C11H17N3OS and a molecular weight of 239.34 g/mol. Its IUPAC name is 2-(cyclopropylamino)-2-methyl-3-pyrimidin-2-ylsulfanylpropan-1-ol.

Molecular Properties

Compound Name2-(cyclopropylamino)-2-methyl-3-pyrimidin-2-ylsulfanylpropan-1-ol
PubChem CID64807049
Molecular FormulaC11H17N3OS
Molecular Weight239.34 g/mol
Exact Mass239.11
IUPAC Name2-(cyclopropylamino)-2-methyl-3-pyrimidin-2-ylsulfanylpropan-1-ol
SMILESCC(CO)(CSc1ncccn1)NC1CC1
InChIInChI=1S/C11H17N3OS/c1-11(7-15,14-9-3-4-9)8-16-10-12-5-2-6-13-10/h2,5-6,9,14-15H,3-4,7-8H2,1H3
InChIKeyRGWDEKNSKXOBEF-UHFFFAOYSA-N
XLogP1.07
TPSA58.04 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.34
LogP ≤ 51.07
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

2-(cyclopropylamino)-2-methyl-3-(1-methylimidazol-2-yl)sulfanylpropan-1-ol
CID 64820426
3-(1,3-benzoxazol-2-ylsulfanyl)-2-(cyclopropylamino)-2-methylpropan-1-ol
CID 64806196
2-(cyclopropylamino)-2-methyl-4-(5-methylpyrimidin-2-yl)sulfanylbutan-1-ol
CID 64819014
ethyl 2-cyclopropyl-2-(cyclopropylamino)-3-pyrimidin-2-ylsulfanylpropanoate
CID 63915943
2-(cyclopropylamino)-2-methyl-4-pyridin-2-ylsulfanylpentan-1-ol
CID 64808268
2-cyclopropyl-2-(cyclopropylamino)-3-(4-methylpyrimidin-2-yl)sulfanylpropan-1-ol
CID 64807338
2-(cyclopropylamino)-2-methyl-4-(4-methylpyrimidin-2-yl)sulfanylpentan-1-ol
CID 64807747
2-methyl-2-(methylamino)-3-(4-methylpyrimidin-2-yl)sulfanylpropan-1-ol
CID 64807954
2-(cyclopropylamino)-2-methyl-5-[(2-methyl-1,2,4-triazol-3-yl)sulfanyl]pentan-1-ol
CID 104604822
2-methyl-2-(propan-2-ylamino)-3-pyridin-2-ylsulfanylpropan-1-ol
CID 64807637
2-cyclopropyl-2-(propan-2-ylamino)-3-pyrimidin-2-ylsulfanylpropanamide
CID 63918441
2-(cyclopropylamino)-4-pyrimidin-2-ylsulfanylbutan-1-ol
CID 64807050

Frequently Asked Questions

What is the IUPAC name of 2-(cyclopropylamino)-2-methyl-3-pyrimidin-2-ylsulfanylpropan-1-ol?
The IUPAC name of 2-(cyclopropylamino)-2-methyl-3-pyrimidin-2-ylsulfanylpropan-1-ol (CID 64807049) is 2-(cyclopropylamino)-2-methyl-3-pyrimidin-2-ylsulfanylpropan-1-ol.
What is the SMILES notation for 2-(cyclopropylamino)-2-methyl-3-pyrimidin-2-ylsulfanylpropan-1-ol?
The canonical SMILES for 2-(cyclopropylamino)-2-methyl-3-pyrimidin-2-ylsulfanylpropan-1-ol is CC(CO)(CSc1ncccn1)NC1CC1.
What is the InChIKey of 2-(cyclopropylamino)-2-methyl-3-pyrimidin-2-ylsulfanylpropan-1-ol?
The InChIKey is RGWDEKNSKXOBEF-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17N3OS/c1-11(7-15,14-9-3-4-9)8-16-10-12-5-2-6-13-10/h2,5-6,9,14-15H,3-4,7-8H2,1H3.
What are the key properties of 2-(cyclopropylamino)-2-methyl-3-pyrimidin-2-ylsulfanylpropan-1-ol?
2-(cyclopropylamino)-2-methyl-3-pyrimidin-2-ylsulfanylpropan-1-ol has a molecular weight of 239.34 g/mol, XLogP of 1.07, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(cyclopropylamino)-2-methyl-3-pyrimidin-2-ylsulfanylpropan-1-ol is sourced from PubChem (CID 64807049), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).