2-N-(1,1-dioxothiolan-3-yl)-4-N-ethyl-6-methyl-4-N-(3-methylphenyl)pyrimidine-2,4-diamine

C18H24N4O2S — CID 112921905

IUPAC2-N-(1,1-dioxothiolan-3-yl)-4-N-ethyl-6-methyl-4-N-(3-methylphenyl)pyrimidine-2,4-diamine
SMILESCCN(c1cccc(C)c1)c1cc(C)nc(NC2CCS(=O)(=O)C2)n1
InChIInChI=1S/C18H24N4O2S/c1-4-22(16-7-5-6-13(2)10-16)17-11-14(3)19-18(21-17)20-15-8-9-25(23,24)12-15/h5-7,10-11,15H,4,8-9,12H2,1-3H3,(H,19,20,21)
InChIKeySVVCQZCSOPUZDJ-UHFFFAOYSA-N
MW360.48 g/mol
LogP2.85
Rot. Bonds5

About 2-N-(1,1-dioxothiolan-3-yl)-4-N-ethyl-6-methyl-4-N-(3-methylphenyl)pyrimidine-2,4-diamine

2-N-(1,1-dioxothiolan-3-yl)-4-N-ethyl-6-methyl-4-N-(3-methylphenyl)pyrimidine-2,4-diamine (PubChem CID 112921905) has the molecular formula C18H24N4O2S and a molecular weight of 360.48 g/mol. Its IUPAC name is 2-N-(1,1-dioxothiolan-3-yl)-4-N-ethyl-6-methyl-4-N-(3-methylphenyl)pyrimidine-2,4-diamine.

Molecular Properties

Compound Name2-N-(1,1-dioxothiolan-3-yl)-4-N-ethyl-6-methyl-4-N-(3-methylphenyl)pyrimidine-2,4-diamine
PubChem CID112921905
Molecular FormulaC18H24N4O2S
Molecular Weight360.48 g/mol
Exact Mass360.16
IUPAC Name2-N-(1,1-dioxothiolan-3-yl)-4-N-ethyl-6-methyl-4-N-(3-methylphenyl)pyrimidine-2,4-diamine
SMILESCCN(c1cccc(C)c1)c1cc(C)nc(NC2CCS(=O)(=O)C2)n1
InChIInChI=1S/C18H24N4O2S/c1-4-22(16-7-5-6-13(2)10-16)17-11-14(3)19-18(21-17)20-15-8-9-25(23,24)12-15/h5-7,10-11,15H,4,8-9,12H2,1-3H3,(H,19,20,21)
InChIKeySVVCQZCSOPUZDJ-UHFFFAOYSA-N
XLogP2.85
TPSA75.19 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500360.48
LogP ≤ 52.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze 2-N-(1,1-dioxothiolan-3-yl)-4-N-ethyl-6-methyl-4-N-(3-methylphenyl)pyrimidine-2,4-diamine with MolForge

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Related Compounds

2-[(1,1-dioxothiolan-3-yl)amino]-N-ethyl-6-methyl-N-phenylpyrimidine-4-carboxamide
CID 109331325
N-(1,1-dioxothiolan-3-yl)-2-(N-ethyl-3-methylanilino)pyrimidine-5-carboxamide
CID 109260839
4-N-ethyl-6-methyl-4-N-(3-methylphenyl)-2-N-phenylpyrimidine-2,4-diamine
CID 112926991
4-N-(1,1-dioxothiolan-3-yl)-2-N,4-N-diethyl-2-N-(3-methylphenyl)pyrimidine-2,4-diamine
CID 112897644
2-N-(1,1-dioxothiolan-3-yl)-4-N-(2-ethyl-6-methylphenyl)-6-methylpyrimidine-2,4-diamine
CID 112921839
N-(1,1-dioxothian-4-yl)-4,6-dimethylpyrimidin-2-amine
CID 43615421
4-N-(1,1-dioxothiolan-3-yl)-4-N-ethyl-6-methyl-2-N-phenylpyrimidine-2,4-diamine
CID 112923047
N-benzyl-2-[(1,1-dioxothiolan-3-yl)amino]-6-methylpyrimidine-4-carboxamide
CID 109327230
2-N-(1,1-dioxothiolan-3-yl)-6-methyl-4-N-propan-2-ylpyrimidine-2,4-diamine
CID 112907115
2-N-(1,1-dioxothiolan-3-yl)-6-methyl-4-N-(2-methylphenyl)pyrimidine-2,4-diamine
CID 112921824
ethyl 4-[[4-(N-ethyl-3-methylanilino)-6-methylpyrimidin-2-yl]amino]benzoate
CID 112932104
2-N-(1,1-dioxothiolan-3-yl)-4-N-(3-methylphenyl)-6-phenylpyrimidine-2,4-diamine
CID 112937562

Frequently Asked Questions

What is the IUPAC name of 2-N-(1,1-dioxothiolan-3-yl)-4-N-ethyl-6-methyl-4-N-(3-methylphenyl)pyrimidine-2,4-diamine?
The IUPAC name of 2-N-(1,1-dioxothiolan-3-yl)-4-N-ethyl-6-methyl-4-N-(3-methylphenyl)pyrimidine-2,4-diamine (CID 112921905) is 2-N-(1,1-dioxothiolan-3-yl)-4-N-ethyl-6-methyl-4-N-(3-methylphenyl)pyrimidine-2,4-diamine.
What is the SMILES notation for 2-N-(1,1-dioxothiolan-3-yl)-4-N-ethyl-6-methyl-4-N-(3-methylphenyl)pyrimidine-2,4-diamine?
The canonical SMILES for 2-N-(1,1-dioxothiolan-3-yl)-4-N-ethyl-6-methyl-4-N-(3-methylphenyl)pyrimidine-2,4-diamine is CCN(c1cccc(C)c1)c1cc(C)nc(NC2CCS(=O)(=O)C2)n1.
What is the InChIKey of 2-N-(1,1-dioxothiolan-3-yl)-4-N-ethyl-6-methyl-4-N-(3-methylphenyl)pyrimidine-2,4-diamine?
The InChIKey is SVVCQZCSOPUZDJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H24N4O2S/c1-4-22(16-7-5-6-13(2)10-16)17-11-14(3)19-18(21-17)20-15-8-9-25(23,24)12-15/h5-7,10-11,15H,4,8-9,12H2,1-3H3,(H,19,20,21).
What are the key properties of 2-N-(1,1-dioxothiolan-3-yl)-4-N-ethyl-6-methyl-4-N-(3-methylphenyl)pyrimidine-2,4-diamine?
2-N-(1,1-dioxothiolan-3-yl)-4-N-ethyl-6-methyl-4-N-(3-methylphenyl)pyrimidine-2,4-diamine has a molecular weight of 360.48 g/mol, XLogP of 2.85, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-N-(1,1-dioxothiolan-3-yl)-4-N-ethyl-6-methyl-4-N-(3-methylphenyl)pyrimidine-2,4-diamine is sourced from PubChem (CID 112921905), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).