4-N-(1,1-dioxothiolan-3-yl)-2-N,4-N-diethyl-2-N-(3-methylphenyl)pyrimidine-2,4-diamine

C19H26N4O2S — CID 112897644

IUPAC4-N-(1,1-dioxothiolan-3-yl)-2-N,4-N-diethyl-2-N-(3-methylphenyl)pyrimidine-2,4-diamine
SMILESCCN(c1cccc(C)c1)c1nccc(N(CC)C2CCS(=O)(=O)C2)n1
InChIInChI=1S/C19H26N4O2S/c1-4-22(17-10-12-26(24,25)14-17)18-9-11-20-19(21-18)23(5-2)16-8-6-7-15(3)13-16/h6-9,11,13,17H,4-5,10,12,14H2,1-3H3
InChIKeyUWSRXARLVZWBKL-UHFFFAOYSA-N
MW374.51 g/mol
LogP2.96
Rot. Bonds6

About 4-N-(1,1-dioxothiolan-3-yl)-2-N,4-N-diethyl-2-N-(3-methylphenyl)pyrimidine-2,4-diamine

4-N-(1,1-dioxothiolan-3-yl)-2-N,4-N-diethyl-2-N-(3-methylphenyl)pyrimidine-2,4-diamine (PubChem CID 112897644) has the molecular formula C19H26N4O2S and a molecular weight of 374.51 g/mol. Its IUPAC name is 4-N-(1,1-dioxothiolan-3-yl)-2-N,4-N-diethyl-2-N-(3-methylphenyl)pyrimidine-2,4-diamine.

Molecular Properties

Compound Name4-N-(1,1-dioxothiolan-3-yl)-2-N,4-N-diethyl-2-N-(3-methylphenyl)pyrimidine-2,4-diamine
PubChem CID112897644
Molecular FormulaC19H26N4O2S
Molecular Weight374.51 g/mol
Exact Mass374.18
IUPAC Name4-N-(1,1-dioxothiolan-3-yl)-2-N,4-N-diethyl-2-N-(3-methylphenyl)pyrimidine-2,4-diamine
SMILESCCN(c1cccc(C)c1)c1nccc(N(CC)C2CCS(=O)(=O)C2)n1
InChIInChI=1S/C19H26N4O2S/c1-4-22(17-10-12-26(24,25)14-17)18-9-11-20-19(21-18)23(5-2)16-8-6-7-15(3)13-16/h6-9,11,13,17H,4-5,10,12,14H2,1-3H3
InChIKeyUWSRXARLVZWBKL-UHFFFAOYSA-N
XLogP2.96
TPSA66.40 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500374.51
LogP ≤ 52.96
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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

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Related Compounds

2-N-(1,1-dioxothiolan-3-yl)-4-N-ethyl-2-N-methyl-4-N-phenylpyrimidine-2,4-diamine
CID 112896192
2-[(1,1-dioxothiolan-3-yl)-methylamino]-N-ethyl-N-(3-methylphenyl)pyrimidine-4-carboxamide
CID 109309347
2-N-(1,1-dioxothiolan-3-yl)-2-N-ethyl-4-N,4-N-dipropylpyrimidine-2,4-diamine
CID 112897660
4-N-(1,1-dioxothiolan-3-yl)-4-N-ethyl-2-N-[(4-methylphenyl)methyl]pyrimidine-2,4-diamine
CID 112890433
4-N-(1,1-dioxothiolan-3-yl)-4-N-ethyl-2-N-propan-2-ylpyrimidine-2,4-diamine
CID 112882155
4-[(1,1-dioxothiolan-3-yl)-ethylamino]-N-(3-methylphenyl)pyridine-2-carboxamide
CID 109215799
2-N-(3-chlorophenyl)-4-N-(1,1-dioxothiolan-3-yl)-4-N-ethylpyrimidine-2,4-diamine
CID 112897606
2-N-(1,1-dioxothiolan-3-yl)-2-N-ethyl-4-N,6-dimethyl-4-N-phenylpyrimidine-2,4-diamine
CID 112923113
2-N-ethyl-2-N-(3-methylphenyl)pyrimidine-2,4-diamine
CID 116796498
2-N-butan-2-yl-4-N-(1,1-dioxothiolan-3-yl)-4-N-ethylpyrimidine-2,4-diamine
CID 112883718
N-(1,1-dioxothiolan-3-yl)-2-(N-ethyl-3-methylanilino)pyrimidine-5-carboxamide
CID 109260839
3-[[4-[(1,1-dioxothiolan-3-yl)-ethylamino]pyrimidin-2-yl]amino]benzonitrile
CID 112897642

Frequently Asked Questions

What is the IUPAC name of 4-N-(1,1-dioxothiolan-3-yl)-2-N,4-N-diethyl-2-N-(3-methylphenyl)pyrimidine-2,4-diamine?
The IUPAC name of 4-N-(1,1-dioxothiolan-3-yl)-2-N,4-N-diethyl-2-N-(3-methylphenyl)pyrimidine-2,4-diamine (CID 112897644) is 4-N-(1,1-dioxothiolan-3-yl)-2-N,4-N-diethyl-2-N-(3-methylphenyl)pyrimidine-2,4-diamine.
What is the SMILES notation for 4-N-(1,1-dioxothiolan-3-yl)-2-N,4-N-diethyl-2-N-(3-methylphenyl)pyrimidine-2,4-diamine?
The canonical SMILES for 4-N-(1,1-dioxothiolan-3-yl)-2-N,4-N-diethyl-2-N-(3-methylphenyl)pyrimidine-2,4-diamine is CCN(c1cccc(C)c1)c1nccc(N(CC)C2CCS(=O)(=O)C2)n1.
What is the InChIKey of 4-N-(1,1-dioxothiolan-3-yl)-2-N,4-N-diethyl-2-N-(3-methylphenyl)pyrimidine-2,4-diamine?
The InChIKey is UWSRXARLVZWBKL-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H26N4O2S/c1-4-22(17-10-12-26(24,25)14-17)18-9-11-20-19(21-18)23(5-2)16-8-6-7-15(3)13-16/h6-9,11,13,17H,4-5,10,12,14H2,1-3H3.
What are the key properties of 4-N-(1,1-dioxothiolan-3-yl)-2-N,4-N-diethyl-2-N-(3-methylphenyl)pyrimidine-2,4-diamine?
4-N-(1,1-dioxothiolan-3-yl)-2-N,4-N-diethyl-2-N-(3-methylphenyl)pyrimidine-2,4-diamine has a molecular weight of 374.51 g/mol, XLogP of 2.96, 6 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-N-(1,1-dioxothiolan-3-yl)-2-N,4-N-diethyl-2-N-(3-methylphenyl)pyrimidine-2,4-diamine is sourced from PubChem (CID 112897644), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).