N,N-dichloro-2-propylsulfanylpyrimidin-5-amine

C7H9Cl2N3S — CID 90258044

IUPACN,N-dichloro-2-propylsulfanylpyrimidin-5-amine
SMILESCCCSc1ncc(N(Cl)Cl)cn1
InChIInChI=1S/C7H9Cl2N3S/c1-2-3-13-7-10-4-6(5-11-7)12(8)9/h4-5H,2-3H2,1H3
InChIKeyFHQMEXAFCFMEMA-UHFFFAOYSA-N
MW238.14 g/mol
LogP3.09
Rot. Bonds4

About N,N-dichloro-2-propylsulfanylpyrimidin-5-amine

N,N-dichloro-2-propylsulfanylpyrimidin-5-amine (PubChem CID 90258044) has the molecular formula C7H9Cl2N3S and a molecular weight of 238.14 g/mol. Its IUPAC name is N,N-dichloro-2-propylsulfanylpyrimidin-5-amine.

Molecular Properties

Compound NameN,N-dichloro-2-propylsulfanylpyrimidin-5-amine
PubChem CID90258044
Molecular FormulaC7H9Cl2N3S
Molecular Weight238.14 g/mol
Exact Mass236.99
IUPAC NameN,N-dichloro-2-propylsulfanylpyrimidin-5-amine
SMILESCCCSc1ncc(N(Cl)Cl)cn1
InChIInChI=1S/C7H9Cl2N3S/c1-2-3-13-7-10-4-6(5-11-7)12(8)9/h4-5H,2-3H2,1H3
InChIKeyFHQMEXAFCFMEMA-UHFFFAOYSA-N
XLogP3.09
TPSA29.02 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.14
LogP ≤ 53.09
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N,N-dichloro-2-propylsulfanylpyrimidin-5-amine?
The IUPAC name of N,N-dichloro-2-propylsulfanylpyrimidin-5-amine (CID 90258044) is N,N-dichloro-2-propylsulfanylpyrimidin-5-amine.
What is the SMILES notation for N,N-dichloro-2-propylsulfanylpyrimidin-5-amine?
The canonical SMILES for N,N-dichloro-2-propylsulfanylpyrimidin-5-amine is CCCSc1ncc(N(Cl)Cl)cn1.
What is the InChIKey of N,N-dichloro-2-propylsulfanylpyrimidin-5-amine?
The InChIKey is FHQMEXAFCFMEMA-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H9Cl2N3S/c1-2-3-13-7-10-4-6(5-11-7)12(8)9/h4-5H,2-3H2,1H3.
What are the key properties of N,N-dichloro-2-propylsulfanylpyrimidin-5-amine?
N,N-dichloro-2-propylsulfanylpyrimidin-5-amine has a molecular weight of 238.14 g/mol, XLogP of 3.09, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-dichloro-2-propylsulfanylpyrimidin-5-amine is sourced from PubChem (CID 90258044), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).