5-(4-chlorophenyl)sulfanylpyrimidine-2,4-diamine

C10H9ClN4S — CID 23423597

IUPAC5-(4-chlorophenyl)sulfanylpyrimidine-2,4-diamine
SMILESNc1ncc(Sc2ccc(Cl)cc2)c(N)n1
InChIInChI=1S/C10H9ClN4S/c11-6-1-3-7(4-2-6)16-8-5-14-10(13)15-9(8)12/h1-5H,(H4,12,13,14,15)
InChIKeyYZZGREOYXRQZGD-UHFFFAOYSA-N
MW252.73 g/mol
LogP2.45
Rot. Bonds2

About 5-(4-chlorophenyl)sulfanylpyrimidine-2,4-diamine

5-(4-chlorophenyl)sulfanylpyrimidine-2,4-diamine (PubChem CID 23423597) has the molecular formula C10H9ClN4S and a molecular weight of 252.73 g/mol. Its IUPAC name is 5-(4-chlorophenyl)sulfanylpyrimidine-2,4-diamine.

Molecular Properties

Compound Name5-(4-chlorophenyl)sulfanylpyrimidine-2,4-diamine
PubChem CID23423597
Molecular FormulaC10H9ClN4S
Molecular Weight252.73 g/mol
Exact Mass252.02
IUPAC Name5-(4-chlorophenyl)sulfanylpyrimidine-2,4-diamine
SMILESNc1ncc(Sc2ccc(Cl)cc2)c(N)n1
InChIInChI=1S/C10H9ClN4S/c11-6-1-3-7(4-2-6)16-8-5-14-10(13)15-9(8)12/h1-5H,(H4,12,13,14,15)
InChIKeyYZZGREOYXRQZGD-UHFFFAOYSA-N
XLogP2.45
TPSA77.82 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.73
LogP ≤ 52.45
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 5-(4-chlorophenyl)sulfanylpyrimidine-2,4-diamine?
The IUPAC name of 5-(4-chlorophenyl)sulfanylpyrimidine-2,4-diamine (CID 23423597) is 5-(4-chlorophenyl)sulfanylpyrimidine-2,4-diamine.
What is the SMILES notation for 5-(4-chlorophenyl)sulfanylpyrimidine-2,4-diamine?
The canonical SMILES for 5-(4-chlorophenyl)sulfanylpyrimidine-2,4-diamine is Nc1ncc(Sc2ccc(Cl)cc2)c(N)n1.
What is the InChIKey of 5-(4-chlorophenyl)sulfanylpyrimidine-2,4-diamine?
The InChIKey is YZZGREOYXRQZGD-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H9ClN4S/c11-6-1-3-7(4-2-6)16-8-5-14-10(13)15-9(8)12/h1-5H,(H4,12,13,14,15).
What are the key properties of 5-(4-chlorophenyl)sulfanylpyrimidine-2,4-diamine?
5-(4-chlorophenyl)sulfanylpyrimidine-2,4-diamine has a molecular weight of 252.73 g/mol, XLogP of 2.45, 2 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(4-chlorophenyl)sulfanylpyrimidine-2,4-diamine is sourced from PubChem (CID 23423597), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).