4-N-(1,1-dioxothiolan-3-yl)-5-propan-2-yl-6-N-propylpyrimidine-4,6-diamine

C14H24N4O2S — CID 80772276

IUPAC4-N-(1,1-dioxothiolan-3-yl)-5-propan-2-yl-6-N-propylpyrimidine-4,6-diamine
SMILESCCCNc1ncnc(NC2CCS(=O)(=O)C2)c1C(C)C
InChIInChI=1S/C14H24N4O2S/c1-4-6-15-13-12(10(2)3)14(17-9-16-13)18-11-5-7-21(19,20)8-11/h9-11H,4-8H2,1-3H3,(H2,15,16,17,18)
InChIKeyBWVNSPIFGITHLJ-UHFFFAOYSA-N
MW312.44 g/mol
LogP2.02
Rot. Bonds6

About 4-N-(1,1-dioxothiolan-3-yl)-5-propan-2-yl-6-N-propylpyrimidine-4,6-diamine

4-N-(1,1-dioxothiolan-3-yl)-5-propan-2-yl-6-N-propylpyrimidine-4,6-diamine (PubChem CID 80772276) has the molecular formula C14H24N4O2S and a molecular weight of 312.44 g/mol. Its IUPAC name is 4-N-(1,1-dioxothiolan-3-yl)-5-propan-2-yl-6-N-propylpyrimidine-4,6-diamine.

Molecular Properties

Compound Name4-N-(1,1-dioxothiolan-3-yl)-5-propan-2-yl-6-N-propylpyrimidine-4,6-diamine
PubChem CID80772276
Molecular FormulaC14H24N4O2S
Molecular Weight312.44 g/mol
Exact Mass312.16
IUPAC Name4-N-(1,1-dioxothiolan-3-yl)-5-propan-2-yl-6-N-propylpyrimidine-4,6-diamine
SMILESCCCNc1ncnc(NC2CCS(=O)(=O)C2)c1C(C)C
InChIInChI=1S/C14H24N4O2S/c1-4-6-15-13-12(10(2)3)14(17-9-16-13)18-11-5-7-21(19,20)8-11/h9-11H,4-8H2,1-3H3,(H2,15,16,17,18)
InChIKeyBWVNSPIFGITHLJ-UHFFFAOYSA-N
XLogP2.02
TPSA83.98 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.44
LogP ≤ 52.02
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze 4-N-(1,1-dioxothiolan-3-yl)-5-propan-2-yl-6-N-propylpyrimidine-4,6-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-hexyl-5-propan-2-yl-6-N-propylpyrimidine-4,6-diamine
CID 80836424
2-N-(1,1-dioxothiolan-3-yl)-6-N-propylpyrazine-2,6-diamine
CID 80786198
4-N-(2-methylsulfonylethyl)-5-propan-2-yl-6-N-propylpyrimidine-4,6-diamine
CID 80790474
2-methyl-2-[[5-propan-2-yl-6-(propylamino)pyrimidin-4-yl]amino]propanamide
CID 80819527
3-[[[5-propan-2-yl-6-(propylamino)pyrimidin-4-yl]amino]methyl]cyclopentan-1-ol
CID 106138049
4-N-butan-2-yl-5-propan-2-yl-6-N-propylpyrimidine-4,6-diamine
CID 80765380
N-(1,1-dioxothiolan-3-yl)-6-ethoxypyrimidin-4-amine
CID 66327551
N-(1,1-dioxothiolan-3-yl)-6-(propylamino)pyrimidine-4-carboxamide
CID 109338288
4-N-(1,1-dioxothian-4-yl)-6-N,5-diethylpyrimidine-4,6-diamine
CID 80789952
4-N-[2-[ethyl(methyl)amino]ethyl]-5-propan-2-yl-6-N-propylpyrimidine-4,6-diamine
CID 80833363
4-N-(3-methoxypropyl)-5-propan-2-yl-6-N-propylpyrimidine-4,6-diamine
CID 80772911
2-methyl-3-[[5-propan-2-yl-6-(propylamino)pyrimidin-4-yl]amino]propan-1-ol
CID 80840418

Frequently Asked Questions

What is the IUPAC name of 4-N-(1,1-dioxothiolan-3-yl)-5-propan-2-yl-6-N-propylpyrimidine-4,6-diamine?
The IUPAC name of 4-N-(1,1-dioxothiolan-3-yl)-5-propan-2-yl-6-N-propylpyrimidine-4,6-diamine (CID 80772276) is 4-N-(1,1-dioxothiolan-3-yl)-5-propan-2-yl-6-N-propylpyrimidine-4,6-diamine.
What is the SMILES notation for 4-N-(1,1-dioxothiolan-3-yl)-5-propan-2-yl-6-N-propylpyrimidine-4,6-diamine?
The canonical SMILES for 4-N-(1,1-dioxothiolan-3-yl)-5-propan-2-yl-6-N-propylpyrimidine-4,6-diamine is CCCNc1ncnc(NC2CCS(=O)(=O)C2)c1C(C)C.
What is the InChIKey of 4-N-(1,1-dioxothiolan-3-yl)-5-propan-2-yl-6-N-propylpyrimidine-4,6-diamine?
The InChIKey is BWVNSPIFGITHLJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H24N4O2S/c1-4-6-15-13-12(10(2)3)14(17-9-16-13)18-11-5-7-21(19,20)8-11/h9-11H,4-8H2,1-3H3,(H2,15,16,17,18).
What are the key properties of 4-N-(1,1-dioxothiolan-3-yl)-5-propan-2-yl-6-N-propylpyrimidine-4,6-diamine?
4-N-(1,1-dioxothiolan-3-yl)-5-propan-2-yl-6-N-propylpyrimidine-4,6-diamine has a molecular weight of 312.44 g/mol, XLogP of 2.02, 6 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-3-yl)-5-propan-2-yl-6-N-propylpyrimidine-4,6-diamine is sourced from PubChem (CID 80772276), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).