2,4-diamino-5-(2,4-dichlorophenyl)sulfanyl-1H-pyrimidin-6-one

C10H8Cl2N4OS — CID 135434147

IUPAC2,4-diamino-5-(2,4-dichlorophenyl)sulfanyl-1H-pyrimidin-6-one
SMILESNc1nc(N)c(Sc2ccc(Cl)cc2Cl)c(=O)[nH]1
InChIInChI=1S/C10H8Cl2N4OS/c11-4-1-2-6(5(12)3-4)18-7-8(13)15-10(14)16-9(7)17/h1-3H,(H5,13,14,15,16,17)
InChIKeyUWSACSNQQHYDSR-UHFFFAOYSA-N
MW303.17 g/mol
LogP2.39
Rot. Bonds2

About 2,4-diamino-5-(2,4-dichlorophenyl)sulfanyl-1H-pyrimidin-6-one

2,4-diamino-5-(2,4-dichlorophenyl)sulfanyl-1H-pyrimidin-6-one (PubChem CID 135434147) has the molecular formula C10H8Cl2N4OS and a molecular weight of 303.17 g/mol. Its IUPAC name is 2,4-diamino-5-(2,4-dichlorophenyl)sulfanyl-1H-pyrimidin-6-one.

Molecular Properties

Compound Name2,4-diamino-5-(2,4-dichlorophenyl)sulfanyl-1H-pyrimidin-6-one
PubChem CID135434147
Molecular FormulaC10H8Cl2N4OS
Molecular Weight303.17 g/mol
Exact Mass301.98
IUPAC Name2,4-diamino-5-(2,4-dichlorophenyl)sulfanyl-1H-pyrimidin-6-one
SMILESNc1nc(N)c(Sc2ccc(Cl)cc2Cl)c(=O)[nH]1
InChIInChI=1S/C10H8Cl2N4OS/c11-4-1-2-6(5(12)3-4)18-7-8(13)15-10(14)16-9(7)17/h1-3H,(H5,13,14,15,16,17)
InChIKeyUWSACSNQQHYDSR-UHFFFAOYSA-N
XLogP2.39
TPSA97.79 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.17
LogP ≤ 52.39
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2,4-diamino-5-(2,4-dichlorophenyl)sulfanyl-1H-pyrimidin-6-one?
The IUPAC name of 2,4-diamino-5-(2,4-dichlorophenyl)sulfanyl-1H-pyrimidin-6-one (CID 135434147) is 2,4-diamino-5-(2,4-dichlorophenyl)sulfanyl-1H-pyrimidin-6-one.
What is the SMILES notation for 2,4-diamino-5-(2,4-dichlorophenyl)sulfanyl-1H-pyrimidin-6-one?
The canonical SMILES for 2,4-diamino-5-(2,4-dichlorophenyl)sulfanyl-1H-pyrimidin-6-one is Nc1nc(N)c(Sc2ccc(Cl)cc2Cl)c(=O)[nH]1.
What is the InChIKey of 2,4-diamino-5-(2,4-dichlorophenyl)sulfanyl-1H-pyrimidin-6-one?
The InChIKey is UWSACSNQQHYDSR-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H8Cl2N4OS/c11-4-1-2-6(5(12)3-4)18-7-8(13)15-10(14)16-9(7)17/h1-3H,(H5,13,14,15,16,17).
What are the key properties of 2,4-diamino-5-(2,4-dichlorophenyl)sulfanyl-1H-pyrimidin-6-one?
2,4-diamino-5-(2,4-dichlorophenyl)sulfanyl-1H-pyrimidin-6-one has a molecular weight of 303.17 g/mol, XLogP of 2.39, 2 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2,4-diamino-5-(2,4-dichlorophenyl)sulfanyl-1H-pyrimidin-6-one is sourced from PubChem (CID 135434147), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).