3-propan-2-ylsulfanyl-N-(4-propylpyrimidin-2-yl)propanamide

C13H21N3OS — CID 163762658

IUPAC3-propan-2-ylsulfanyl-N-(4-propylpyrimidin-2-yl)propanamide
SMILESCCCc1ccnc(NC(=O)CCSC(C)C)n1
InChIInChI=1S/C13H21N3OS/c1-4-5-11-6-8-14-13(15-11)16-12(17)7-9-18-10(2)3/h6,8,10H,4-5,7,9H2,1-3H3,(H,14,15,16,17)
InChIKeyLZNVYAHCXMYZGW-UHFFFAOYSA-N
MW267.40 g/mol
LogP2.90
Rot. Bonds7

About 3-propan-2-ylsulfanyl-N-(4-propylpyrimidin-2-yl)propanamide

3-propan-2-ylsulfanyl-N-(4-propylpyrimidin-2-yl)propanamide (PubChem CID 163762658) has the molecular formula C13H21N3OS and a molecular weight of 267.40 g/mol. Its IUPAC name is 3-propan-2-ylsulfanyl-N-(4-propylpyrimidin-2-yl)propanamide.

Molecular Properties

Compound Name3-propan-2-ylsulfanyl-N-(4-propylpyrimidin-2-yl)propanamide
PubChem CID163762658
Molecular FormulaC13H21N3OS
Molecular Weight267.40 g/mol
Exact Mass267.14
IUPAC Name3-propan-2-ylsulfanyl-N-(4-propylpyrimidin-2-yl)propanamide
SMILESCCCc1ccnc(NC(=O)CCSC(C)C)n1
InChIInChI=1S/C13H21N3OS/c1-4-5-11-6-8-14-13(15-11)16-12(17)7-9-18-10(2)3/h6,8,10H,4-5,7,9H2,1-3H3,(H,14,15,16,17)
InChIKeyLZNVYAHCXMYZGW-UHFFFAOYSA-N
XLogP2.90
TPSA54.88 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.40
LogP ≤ 52.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-propan-2-ylsulfanyl-N-(4-propylpyrimidin-2-yl)propanamide?
The IUPAC name of 3-propan-2-ylsulfanyl-N-(4-propylpyrimidin-2-yl)propanamide (CID 163762658) is 3-propan-2-ylsulfanyl-N-(4-propylpyrimidin-2-yl)propanamide.
What is the SMILES notation for 3-propan-2-ylsulfanyl-N-(4-propylpyrimidin-2-yl)propanamide?
The canonical SMILES for 3-propan-2-ylsulfanyl-N-(4-propylpyrimidin-2-yl)propanamide is CCCc1ccnc(NC(=O)CCSC(C)C)n1.
What is the InChIKey of 3-propan-2-ylsulfanyl-N-(4-propylpyrimidin-2-yl)propanamide?
The InChIKey is LZNVYAHCXMYZGW-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H21N3OS/c1-4-5-11-6-8-14-13(15-11)16-12(17)7-9-18-10(2)3/h6,8,10H,4-5,7,9H2,1-3H3,(H,14,15,16,17).
What are the key properties of 3-propan-2-ylsulfanyl-N-(4-propylpyrimidin-2-yl)propanamide?
3-propan-2-ylsulfanyl-N-(4-propylpyrimidin-2-yl)propanamide has a molecular weight of 267.40 g/mol, XLogP of 2.90, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-propan-2-ylsulfanyl-N-(4-propylpyrimidin-2-yl)propanamide is sourced from PubChem (CID 163762658), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).