N-(4,6-dichloro-2-propylsulfanylpyrimidin-5-yl)formamide

C8H9Cl2N3OS — CID 66575800

IUPACN-(4,6-dichloro-2-propylsulfanylpyrimidin-5-yl)formamide
SMILESCCCSc1nc(Cl)c(NC=O)c(Cl)n1
InChIInChI=1S/C8H9Cl2N3OS/c1-2-3-15-8-12-6(9)5(11-4-14)7(10)13-8/h4H,2-3H2,1H3,(H,11,14)
InChIKeyVRTQPVJTJNIZGE-UHFFFAOYSA-N
MW266.15 g/mol
LogP2.85
Rot. Bonds5

About N-(4,6-dichloro-2-propylsulfanylpyrimidin-5-yl)formamide

N-(4,6-dichloro-2-propylsulfanylpyrimidin-5-yl)formamide (PubChem CID 66575800) has the molecular formula C8H9Cl2N3OS and a molecular weight of 266.15 g/mol. Its IUPAC name is N-(4,6-dichloro-2-propylsulfanylpyrimidin-5-yl)formamide.

Molecular Properties

Compound NameN-(4,6-dichloro-2-propylsulfanylpyrimidin-5-yl)formamide
PubChem CID66575800
Molecular FormulaC8H9Cl2N3OS
Molecular Weight266.15 g/mol
Exact Mass264.98
IUPAC NameN-(4,6-dichloro-2-propylsulfanylpyrimidin-5-yl)formamide
SMILESCCCSc1nc(Cl)c(NC=O)c(Cl)n1
InChIInChI=1S/C8H9Cl2N3OS/c1-2-3-15-8-12-6(9)5(11-4-14)7(10)13-8/h4H,2-3H2,1H3,(H,11,14)
InChIKeyVRTQPVJTJNIZGE-UHFFFAOYSA-N
XLogP2.85
TPSA54.88 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.15
LogP ≤ 52.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aldehyde', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-(4,6-dichloro-2-propylsulfanylpyrimidin-5-yl)formamide?
The IUPAC name of N-(4,6-dichloro-2-propylsulfanylpyrimidin-5-yl)formamide (CID 66575800) is N-(4,6-dichloro-2-propylsulfanylpyrimidin-5-yl)formamide.
What is the SMILES notation for N-(4,6-dichloro-2-propylsulfanylpyrimidin-5-yl)formamide?
The canonical SMILES for N-(4,6-dichloro-2-propylsulfanylpyrimidin-5-yl)formamide is CCCSc1nc(Cl)c(NC=O)c(Cl)n1.
What is the InChIKey of N-(4,6-dichloro-2-propylsulfanylpyrimidin-5-yl)formamide?
The InChIKey is VRTQPVJTJNIZGE-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H9Cl2N3OS/c1-2-3-15-8-12-6(9)5(11-4-14)7(10)13-8/h4H,2-3H2,1H3,(H,11,14).
What are the key properties of N-(4,6-dichloro-2-propylsulfanylpyrimidin-5-yl)formamide?
N-(4,6-dichloro-2-propylsulfanylpyrimidin-5-yl)formamide has a molecular weight of 266.15 g/mol, XLogP of 2.85, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4,6-dichloro-2-propylsulfanylpyrimidin-5-yl)formamide is sourced from PubChem (CID 66575800), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).