4-N-[(1,1-dioxothiolan-2-yl)methyl]-2-N-ethylpyrimidine-2,4-diamine

C11H18N4O2S — CID 81046330

IUPAC4-N-[(1,1-dioxothiolan-2-yl)methyl]-2-N-ethylpyrimidine-2,4-diamine
SMILESCCNc1nccc(NCC2CCCS2(=O)=O)n1
InChIInChI=1S/C11H18N4O2S/c1-2-12-11-13-6-5-10(15-11)14-8-9-4-3-7-18(9,16)17/h5-6,9H,2-4,7-8H2,1H3,(H2,12,13,14,15)
InChIKeyVCBXAGBDADYLHY-UHFFFAOYSA-N
MW270.36 g/mol
LogP0.90
Rot. Bonds5

About 4-N-[(1,1-dioxothiolan-2-yl)methyl]-2-N-ethylpyrimidine-2,4-diamine

4-N-[(1,1-dioxothiolan-2-yl)methyl]-2-N-ethylpyrimidine-2,4-diamine (PubChem CID 81046330) has the molecular formula C11H18N4O2S and a molecular weight of 270.36 g/mol. Its IUPAC name is 4-N-[(1,1-dioxothiolan-2-yl)methyl]-2-N-ethylpyrimidine-2,4-diamine.

Molecular Properties

Compound Name4-N-[(1,1-dioxothiolan-2-yl)methyl]-2-N-ethylpyrimidine-2,4-diamine
PubChem CID81046330
Molecular FormulaC11H18N4O2S
Molecular Weight270.36 g/mol
Exact Mass270.12
IUPAC Name4-N-[(1,1-dioxothiolan-2-yl)methyl]-2-N-ethylpyrimidine-2,4-diamine
SMILESCCNc1nccc(NCC2CCCS2(=O)=O)n1
InChIInChI=1S/C11H18N4O2S/c1-2-12-11-13-6-5-10(15-11)14-8-9-4-3-7-18(9,16)17/h5-6,9H,2-4,7-8H2,1H3,(H2,12,13,14,15)
InChIKeyVCBXAGBDADYLHY-UHFFFAOYSA-N
XLogP0.90
TPSA83.98 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.36
LogP ≤ 50.90
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze 4-N-[(1,1-dioxothiolan-2-yl)methyl]-2-N-ethylpyrimidine-2,4-diamine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

4-N-[(1,1-dioxothiolan-2-yl)methyl]-2-N-ethyl-5-fluoropyrimidine-2,4-diamine
CID 81046836
4-N-[(1,1-dioxothiolan-2-yl)methyl]-6-N-ethyl-2-methylpyrimidine-4,6-diamine
CID 81047206
2-N-[[(3S)-1,1-dioxothiolan-3-yl]methyl]-4-N-ethylpyrimidine-2,4-diamine
CID 95138074
6-chloro-2-N-[(1,1-dioxothiolan-2-yl)methyl]-4-N-ethyl-1,3,5-triazine-2,4-diamine
CID 81047139
N-[(1,1-dioxothiolan-2-yl)methyl]pyridin-2-amine
CID 81040808
4-N-[(1,1-dioxothiolan-2-yl)methyl]-6-N-ethyl-2-methylsulfanylpyrimidine-4,6-diamine
CID 81046764
3-[[[2-(ethylamino)pyrimidin-4-yl]amino]methyl]cyclobutan-1-ol
CID 80856561
4-N-[(1,1-dioxothiolan-2-yl)methyl]pyrimidine-2,4,6-triamine
CID 81046481
4-N-[(1,1-dioxothiolan-3-yl)methyl]-2-N-methylpyrimidine-2,4-diamine
CID 80822566
2-chloro-N-[(1,1-dioxothiolan-2-yl)methyl]pyridin-4-amine
CID 103780257
6-chloro-2-cyclopropyl-N-[(1,1-dioxothiolan-2-yl)methyl]pyrimidin-4-amine
CID 81040901
N-cyclopropyl-2-[[2-(ethylamino)pyrimidin-4-yl]amino]acetamide
CID 80793366

Frequently Asked Questions

What is the IUPAC name of 4-N-[(1,1-dioxothiolan-2-yl)methyl]-2-N-ethylpyrimidine-2,4-diamine?
The IUPAC name of 4-N-[(1,1-dioxothiolan-2-yl)methyl]-2-N-ethylpyrimidine-2,4-diamine (CID 81046330) is 4-N-[(1,1-dioxothiolan-2-yl)methyl]-2-N-ethylpyrimidine-2,4-diamine.
What is the SMILES notation for 4-N-[(1,1-dioxothiolan-2-yl)methyl]-2-N-ethylpyrimidine-2,4-diamine?
The canonical SMILES for 4-N-[(1,1-dioxothiolan-2-yl)methyl]-2-N-ethylpyrimidine-2,4-diamine is CCNc1nccc(NCC2CCCS2(=O)=O)n1.
What is the InChIKey of 4-N-[(1,1-dioxothiolan-2-yl)methyl]-2-N-ethylpyrimidine-2,4-diamine?
The InChIKey is VCBXAGBDADYLHY-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H18N4O2S/c1-2-12-11-13-6-5-10(15-11)14-8-9-4-3-7-18(9,16)17/h5-6,9H,2-4,7-8H2,1H3,(H2,12,13,14,15).
What are the key properties of 4-N-[(1,1-dioxothiolan-2-yl)methyl]-2-N-ethylpyrimidine-2,4-diamine?
4-N-[(1,1-dioxothiolan-2-yl)methyl]-2-N-ethylpyrimidine-2,4-diamine has a molecular weight of 270.36 g/mol, XLogP of 0.90, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-N-[(1,1-dioxothiolan-2-yl)methyl]-2-N-ethylpyrimidine-2,4-diamine is sourced from PubChem (CID 81046330), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).