2-(cyclopropylamino)-3-(5-methylpyrimidin-2-yl)sulfanylpropan-1-ol

C11H17N3OS — CID 64821256

IUPAC2-(cyclopropylamino)-3-(5-methylpyrimidin-2-yl)sulfanylpropan-1-ol
SMILESCc1cnc(SCC(CO)NC2CC2)nc1
InChIInChI=1S/C11H17N3OS/c1-8-4-12-11(13-5-8)16-7-10(6-15)14-9-2-3-9/h4-5,9-10,14-15H,2-3,6-7H2,1H3
InChIKeyKDVNAUMJPPTIRT-UHFFFAOYSA-N
MW239.34 g/mol
LogP0.99
Rot. Bonds6

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

2-(cyclopropylamino)-3-(5-methylpyrimidin-2-yl)sulfanylpropan-1-ol (PubChem CID 64821256) has the molecular formula C11H17N3OS and a molecular weight of 239.34 g/mol. Its IUPAC name is 2-(cyclopropylamino)-3-(5-methylpyrimidin-2-yl)sulfanylpropan-1-ol.

Molecular Properties

Compound Name2-(cyclopropylamino)-3-(5-methylpyrimidin-2-yl)sulfanylpropan-1-ol
PubChem CID64821256
Molecular FormulaC11H17N3OS
Molecular Weight239.34 g/mol
Exact Mass239.11
IUPAC Name2-(cyclopropylamino)-3-(5-methylpyrimidin-2-yl)sulfanylpropan-1-ol
SMILESCc1cnc(SCC(CO)NC2CC2)nc1
InChIInChI=1S/C11H17N3OS/c1-8-4-12-11(13-5-8)16-7-10(6-15)14-9-2-3-9/h4-5,9-10,14-15H,2-3,6-7H2,1H3
InChIKeyKDVNAUMJPPTIRT-UHFFFAOYSA-N
XLogP0.99
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 ≤ 50.99
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-(cyclopropylamino)-3-(5-methylpyrimidin-2-yl)sulfanylpropan-1-ol?
The IUPAC name of 2-(cyclopropylamino)-3-(5-methylpyrimidin-2-yl)sulfanylpropan-1-ol (CID 64821256) is 2-(cyclopropylamino)-3-(5-methylpyrimidin-2-yl)sulfanylpropan-1-ol.
What is the SMILES notation for 2-(cyclopropylamino)-3-(5-methylpyrimidin-2-yl)sulfanylpropan-1-ol?
The canonical SMILES for 2-(cyclopropylamino)-3-(5-methylpyrimidin-2-yl)sulfanylpropan-1-ol is Cc1cnc(SCC(CO)NC2CC2)nc1.
What is the InChIKey of 2-(cyclopropylamino)-3-(5-methylpyrimidin-2-yl)sulfanylpropan-1-ol?
The InChIKey is KDVNAUMJPPTIRT-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17N3OS/c1-8-4-12-11(13-5-8)16-7-10(6-15)14-9-2-3-9/h4-5,9-10,14-15H,2-3,6-7H2,1H3.
What are the key properties of 2-(cyclopropylamino)-3-(5-methylpyrimidin-2-yl)sulfanylpropan-1-ol?
2-(cyclopropylamino)-3-(5-methylpyrimidin-2-yl)sulfanylpropan-1-ol has a molecular weight of 239.34 g/mol, XLogP of 0.99, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(cyclopropylamino)-3-(5-methylpyrimidin-2-yl)sulfanylpropan-1-ol is sourced from PubChem (CID 64821256), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).