2-N-ethyl-5-fluoro-4-N-(4,5,6,7-tetrahydro-1-benzothiophen-4-yl)pyrimidine-2,4-diamine

C14H17FN4S — CID 80823428

IUPAC2-N-ethyl-5-fluoro-4-N-(4,5,6,7-tetrahydro-1-benzothiophen-4-yl)pyrimidine-2,4-diamine
SMILESCCNc1ncc(F)c(NC2CCCc3sccc32)n1
InChIInChI=1S/C14H17FN4S/c1-2-16-14-17-8-10(15)13(19-14)18-11-4-3-5-12-9(11)6-7-20-12/h6-8,11H,2-5H2,1H3,(H2,16,17,18,19)
InChIKeyGPKBBHJFCLGFID-UHFFFAOYSA-N
MW292.38 g/mol
LogP3.60
Rot. Bonds4

About 2-N-ethyl-5-fluoro-4-N-(4,5,6,7-tetrahydro-1-benzothiophen-4-yl)pyrimidine-2,4-diamine

2-N-ethyl-5-fluoro-4-N-(4,5,6,7-tetrahydro-1-benzothiophen-4-yl)pyrimidine-2,4-diamine (PubChem CID 80823428) has the molecular formula C14H17FN4S and a molecular weight of 292.38 g/mol. Its IUPAC name is 2-N-ethyl-5-fluoro-4-N-(4,5,6,7-tetrahydro-1-benzothiophen-4-yl)pyrimidine-2,4-diamine.

Molecular Properties

Compound Name2-N-ethyl-5-fluoro-4-N-(4,5,6,7-tetrahydro-1-benzothiophen-4-yl)pyrimidine-2,4-diamine
PubChem CID80823428
Molecular FormulaC14H17FN4S
Molecular Weight292.38 g/mol
Exact Mass292.12
IUPAC Name2-N-ethyl-5-fluoro-4-N-(4,5,6,7-tetrahydro-1-benzothiophen-4-yl)pyrimidine-2,4-diamine
SMILESCCNc1ncc(F)c(NC2CCCc3sccc32)n1
InChIInChI=1S/C14H17FN4S/c1-2-16-14-17-8-10(15)13(19-14)18-11-4-3-5-12-9(11)6-7-20-12/h6-8,11H,2-5H2,1H3,(H2,16,17,18,19)
InChIKeyGPKBBHJFCLGFID-UHFFFAOYSA-N
XLogP3.60
TPSA49.84 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.38
LogP ≤ 53.60
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze 2-N-ethyl-5-fluoro-4-N-(4,5,6,7-tetrahydro-1-benzothiophen-4-yl)pyrimidine-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-(3,4-dihydro-2H-chromen-4-yl)-2-N-ethyl-5-fluoropyrimidine-2,4-diamine
CID 80801156
2-N-ethyl-5-fluoro-4-N-(2-methylcyclohexyl)pyrimidine-2,4-diamine
CID 80777660
5-methyl-4-N-(4,5,6,7-tetrahydro-1-benzothiophen-4-yl)pyrimidine-2,4-diamine
CID 80824547
2-hydrazinyl-N-(4,5,6,7-tetrahydro-1-benzothiophen-4-yl)thieno[2,3-d]pyrimidin-4-amine
CID 103333485
5,6-diethyl-N-(4,5,6,7-tetrahydro-1-benzothiophen-4-yl)-1,2,4-triazin-3-amine
CID 105362612
4-N-(cyclopentylmethyl)-2-N-ethyl-5-fluoropyrimidine-2,4-diamine
CID 80783715
3-[[2-(ethylamino)-5-fluoropyrimidin-4-yl]amino]-1-methylpyrrolidin-2-one
CID 114165271
5-bromo-4-N-(4,5,6,7-tetrahydro-1-benzothiophen-4-yl)pyrimidine-2,4-diamine
CID 80824799
5-[(tert-butylamino)methyl]-N-(4,5,6,7-tetrahydro-1-benzothiophen-4-yl)-1,3,4-oxadiazol-2-amine
CID 106960597
2-ethyl-6-hydrazinyl-5-methyl-N-(4,5,6,7-tetrahydro-1-benzothiophen-4-yl)pyrimidin-4-amine
CID 81007227
6-N,5-dimethyl-4-N-(4,5,6,7-tetrahydro-1-benzothiophen-4-yl)pyrimidine-4,6-diamine
CID 80824800
4-N-(1,3-dimethylpiperidin-4-yl)-2-N-ethyl-5-fluoropyrimidine-2,4-diamine
CID 114506457

Frequently Asked Questions

What is the IUPAC name of 2-N-ethyl-5-fluoro-4-N-(4,5,6,7-tetrahydro-1-benzothiophen-4-yl)pyrimidine-2,4-diamine?
The IUPAC name of 2-N-ethyl-5-fluoro-4-N-(4,5,6,7-tetrahydro-1-benzothiophen-4-yl)pyrimidine-2,4-diamine (CID 80823428) is 2-N-ethyl-5-fluoro-4-N-(4,5,6,7-tetrahydro-1-benzothiophen-4-yl)pyrimidine-2,4-diamine.
What is the SMILES notation for 2-N-ethyl-5-fluoro-4-N-(4,5,6,7-tetrahydro-1-benzothiophen-4-yl)pyrimidine-2,4-diamine?
The canonical SMILES for 2-N-ethyl-5-fluoro-4-N-(4,5,6,7-tetrahydro-1-benzothiophen-4-yl)pyrimidine-2,4-diamine is CCNc1ncc(F)c(NC2CCCc3sccc32)n1.
What is the InChIKey of 2-N-ethyl-5-fluoro-4-N-(4,5,6,7-tetrahydro-1-benzothiophen-4-yl)pyrimidine-2,4-diamine?
The InChIKey is GPKBBHJFCLGFID-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17FN4S/c1-2-16-14-17-8-10(15)13(19-14)18-11-4-3-5-12-9(11)6-7-20-12/h6-8,11H,2-5H2,1H3,(H2,16,17,18,19).
What are the key properties of 2-N-ethyl-5-fluoro-4-N-(4,5,6,7-tetrahydro-1-benzothiophen-4-yl)pyrimidine-2,4-diamine?
2-N-ethyl-5-fluoro-4-N-(4,5,6,7-tetrahydro-1-benzothiophen-4-yl)pyrimidine-2,4-diamine has a molecular weight of 292.38 g/mol, XLogP of 3.60, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-N-ethyl-5-fluoro-4-N-(4,5,6,7-tetrahydro-1-benzothiophen-4-yl)pyrimidine-2,4-diamine is sourced from PubChem (CID 80823428), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).