5-chloro-4-N-(1,1-dioxothian-4-yl)-2-N-methylpyrimidine-2,4-diamine

C10H15ClN4O2S — CID 80789758

IUPAC5-chloro-4-N-(1,1-dioxothian-4-yl)-2-N-methylpyrimidine-2,4-diamine
SMILESCNc1ncc(Cl)c(NC2CCS(=O)(=O)CC2)n1
InChIInChI=1S/C10H15ClN4O2S/c1-12-10-13-6-8(11)9(15-10)14-7-2-4-18(16,17)5-3-7/h6-7H,2-5H2,1H3,(H2,12,13,14,15)
InChIKeyYEGZMZYUADSLIZ-UHFFFAOYSA-N
MW290.78 g/mol
LogP1.16
Rot. Bonds3

About 5-chloro-4-N-(1,1-dioxothian-4-yl)-2-N-methylpyrimidine-2,4-diamine

5-chloro-4-N-(1,1-dioxothian-4-yl)-2-N-methylpyrimidine-2,4-diamine (PubChem CID 80789758) has the molecular formula C10H15ClN4O2S and a molecular weight of 290.78 g/mol. Its IUPAC name is 5-chloro-4-N-(1,1-dioxothian-4-yl)-2-N-methylpyrimidine-2,4-diamine.

Molecular Properties

Compound Name5-chloro-4-N-(1,1-dioxothian-4-yl)-2-N-methylpyrimidine-2,4-diamine
PubChem CID80789758
Molecular FormulaC10H15ClN4O2S
Molecular Weight290.78 g/mol
Exact Mass290.06
IUPAC Name5-chloro-4-N-(1,1-dioxothian-4-yl)-2-N-methylpyrimidine-2,4-diamine
SMILESCNc1ncc(Cl)c(NC2CCS(=O)(=O)CC2)n1
InChIInChI=1S/C10H15ClN4O2S/c1-12-10-13-6-8(11)9(15-10)14-7-2-4-18(16,17)5-3-7/h6-7H,2-5H2,1H3,(H2,12,13,14,15)
InChIKeyYEGZMZYUADSLIZ-UHFFFAOYSA-N
XLogP1.16
TPSA83.98 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.78
LogP ≤ 51.16
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

5-chloro-4-N-(1,1-dioxothiolan-3-yl)-2-N-ethylpyrimidine-2,4-diamine
CID 80784884
N-(1,1-dioxothian-4-yl)-2-hydrazinyl-5-methylpyrimidin-4-amine
CID 80898941
5-chloro-4-N-(2,3-dimethylcyclopentyl)-2-N-methylpyrimidine-2,4-diamine
CID 80841279
5-chloro-4-N-(3-ethylsulfanylcyclopentyl)-2-N-methylpyrimidine-2,4-diamine
CID 114124204
2-chloro-N-(1,1-dioxothian-4-yl)-5-fluoropyrimidin-4-amine
CID 79080718
5-chloro-4-N-(2,3-dimethylcyclohexyl)-2-N-methylpyrimidine-2,4-diamine
CID 80777437
4-N-(1,1-dioxothian-4-yl)-5-ethyl-6-N-methylpyrimidine-4,6-diamine
CID 80790126
5-chloro-2-N-ethyl-4-N-(1-methylpiperidin-4-yl)pyrimidine-2,4-diamine
CID 80784211
5-chloro-4-N-cycloheptyl-2-N-propylpyrimidine-2,4-diamine
CID 80772251
5-bromo-4-N-cycloheptyl-2-N-methylpyrimidine-2,4-diamine
CID 80771027
2-chloro-N-(1,1-dioxothian-4-yl)-6-methylthieno[2,3-d]pyrimidin-4-amine
CID 103320730
2,5-dichloro-N-cyclopentylpyrimidin-4-amine
CID 79633393

Frequently Asked Questions

What is the IUPAC name of 5-chloro-4-N-(1,1-dioxothian-4-yl)-2-N-methylpyrimidine-2,4-diamine?
The IUPAC name of 5-chloro-4-N-(1,1-dioxothian-4-yl)-2-N-methylpyrimidine-2,4-diamine (CID 80789758) is 5-chloro-4-N-(1,1-dioxothian-4-yl)-2-N-methylpyrimidine-2,4-diamine.
What is the SMILES notation for 5-chloro-4-N-(1,1-dioxothian-4-yl)-2-N-methylpyrimidine-2,4-diamine?
The canonical SMILES for 5-chloro-4-N-(1,1-dioxothian-4-yl)-2-N-methylpyrimidine-2,4-diamine is CNc1ncc(Cl)c(NC2CCS(=O)(=O)CC2)n1.
What is the InChIKey of 5-chloro-4-N-(1,1-dioxothian-4-yl)-2-N-methylpyrimidine-2,4-diamine?
The InChIKey is YEGZMZYUADSLIZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H15ClN4O2S/c1-12-10-13-6-8(11)9(15-10)14-7-2-4-18(16,17)5-3-7/h6-7H,2-5H2,1H3,(H2,12,13,14,15).
What are the key properties of 5-chloro-4-N-(1,1-dioxothian-4-yl)-2-N-methylpyrimidine-2,4-diamine?
5-chloro-4-N-(1,1-dioxothian-4-yl)-2-N-methylpyrimidine-2,4-diamine has a molecular weight of 290.78 g/mol, XLogP of 1.16, 3 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-4-N-(1,1-dioxothian-4-yl)-2-N-methylpyrimidine-2,4-diamine is sourced from PubChem (CID 80789758), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).