2-(cyclopropylamino)-2-methyl-4-(5-methylpyrimidin-2-yl)sulfanylbutan-1-ol

C13H21N3OS — CID 64819014

IUPAC2-(cyclopropylamino)-2-methyl-4-(5-methylpyrimidin-2-yl)sulfanylbutan-1-ol
SMILESCc1cnc(SCCC(C)(CO)NC2CC2)nc1
InChIInChI=1S/C13H21N3OS/c1-10-7-14-12(15-8-10)18-6-5-13(2,9-17)16-11-3-4-11/h7-8,11,16-17H,3-6,9H2,1-2H3
InChIKeyYNRNRGFOHBOZDE-UHFFFAOYSA-N
MW267.40 g/mol
LogP1.77
Rot. Bonds7

About 2-(cyclopropylamino)-2-methyl-4-(5-methylpyrimidin-2-yl)sulfanylbutan-1-ol

2-(cyclopropylamino)-2-methyl-4-(5-methylpyrimidin-2-yl)sulfanylbutan-1-ol (PubChem CID 64819014) has the molecular formula C13H21N3OS and a molecular weight of 267.40 g/mol. Its IUPAC name is 2-(cyclopropylamino)-2-methyl-4-(5-methylpyrimidin-2-yl)sulfanylbutan-1-ol.

Molecular Properties

Compound Name2-(cyclopropylamino)-2-methyl-4-(5-methylpyrimidin-2-yl)sulfanylbutan-1-ol
PubChem CID64819014
Molecular FormulaC13H21N3OS
Molecular Weight267.40 g/mol
Exact Mass267.14
IUPAC Name2-(cyclopropylamino)-2-methyl-4-(5-methylpyrimidin-2-yl)sulfanylbutan-1-ol
SMILESCc1cnc(SCCC(C)(CO)NC2CC2)nc1
InChIInChI=1S/C13H21N3OS/c1-10-7-14-12(15-8-10)18-6-5-13(2,9-17)16-11-3-4-11/h7-8,11,16-17H,3-6,9H2,1-2H3
InChIKeyYNRNRGFOHBOZDE-UHFFFAOYSA-N
XLogP1.77
TPSA58.04 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.40
LogP ≤ 51.77
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

2-(cyclopropylamino)-2-methyl-3-pyrimidin-2-ylsulfanylpropan-1-ol
CID 64807049
2-methyl-5-(5-methylpyrimidin-2-yl)sulfanyl-2-(propylamino)pentan-1-ol
CID 64819456
4-tert-butylsulfanyl-2-(cyclopropylamino)-2-methylbutan-1-ol
CID 64818836
2-(cyclopropylamino)-2-methyl-5-[(2-methyl-1,2,4-triazol-3-yl)sulfanyl]pentan-1-ol
CID 104604822
2-(cyclopropylamino)-3-(5-methylpyrimidin-2-yl)sulfanylpropan-1-ol
CID 64821256
4-(3-chlorophenyl)sulfanyl-2-(cyclopropylamino)-2-methylbutan-1-ol
CID 64806302
methyl 2-cyclopropyl-2-(cyclopropylamino)-3-(5-methylpyrimidin-2-yl)sulfanylpropanoate
CID 63919069
2-(cyclopropylamino)-2-methyl-5-(3-methylphenyl)sulfanylpentan-1-ol
CID 64808531
2-(cyclopropylamino)-4-(3-methoxyphenyl)sulfanyl-2-methylbutan-1-ol
CID 64807612
4-butylsulfanyl-2-(cyclopropylamino)-2-methylbutan-1-ol
CID 64818802
2-amino-2-cyclopropyl-3-(5-methylpyrimidin-2-yl)sulfanylpropan-1-ol
CID 64819233
2-(cyclopropylamino)-6-(3,4-dimethylphenyl)sulfanyl-2-methylhexan-1-ol
CID 64805569

Frequently Asked Questions

What is the IUPAC name of 2-(cyclopropylamino)-2-methyl-4-(5-methylpyrimidin-2-yl)sulfanylbutan-1-ol?
The IUPAC name of 2-(cyclopropylamino)-2-methyl-4-(5-methylpyrimidin-2-yl)sulfanylbutan-1-ol (CID 64819014) is 2-(cyclopropylamino)-2-methyl-4-(5-methylpyrimidin-2-yl)sulfanylbutan-1-ol.
What is the SMILES notation for 2-(cyclopropylamino)-2-methyl-4-(5-methylpyrimidin-2-yl)sulfanylbutan-1-ol?
The canonical SMILES for 2-(cyclopropylamino)-2-methyl-4-(5-methylpyrimidin-2-yl)sulfanylbutan-1-ol is Cc1cnc(SCCC(C)(CO)NC2CC2)nc1.
What is the InChIKey of 2-(cyclopropylamino)-2-methyl-4-(5-methylpyrimidin-2-yl)sulfanylbutan-1-ol?
The InChIKey is YNRNRGFOHBOZDE-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H21N3OS/c1-10-7-14-12(15-8-10)18-6-5-13(2,9-17)16-11-3-4-11/h7-8,11,16-17H,3-6,9H2,1-2H3.
What are the key properties of 2-(cyclopropylamino)-2-methyl-4-(5-methylpyrimidin-2-yl)sulfanylbutan-1-ol?
2-(cyclopropylamino)-2-methyl-4-(5-methylpyrimidin-2-yl)sulfanylbutan-1-ol has a molecular weight of 267.40 g/mol, XLogP of 1.77, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(cyclopropylamino)-2-methyl-4-(5-methylpyrimidin-2-yl)sulfanylbutan-1-ol is sourced from PubChem (CID 64819014), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).