N-ethyl-2-[(4-fluorophenyl)sulfanylmethyl]-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-amine

C16H18FN3S — CID 66065127

IUPACN-ethyl-2-[(4-fluorophenyl)sulfanylmethyl]-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-amine
SMILESCCNc1nc(CSc2ccc(F)cc2)nc2c1CCC2
InChIInChI=1S/C16H18FN3S/c1-2-18-16-13-4-3-5-14(13)19-15(20-16)10-21-12-8-6-11(17)7-9-12/h6-9H,2-5,10H2,1H3,(H,18,19,20)
InChIKeyCUNCMPNKOZKAQU-UHFFFAOYSA-N
MW303.41 g/mol
LogP3.83
Rot. Bonds5

About N-ethyl-2-[(4-fluorophenyl)sulfanylmethyl]-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-amine

N-ethyl-2-[(4-fluorophenyl)sulfanylmethyl]-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-amine (PubChem CID 66065127) has the molecular formula C16H18FN3S and a molecular weight of 303.41 g/mol. Its IUPAC name is N-ethyl-2-[(4-fluorophenyl)sulfanylmethyl]-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-amine.

Molecular Properties

Compound NameN-ethyl-2-[(4-fluorophenyl)sulfanylmethyl]-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-amine
PubChem CID66065127
Molecular FormulaC16H18FN3S
Molecular Weight303.41 g/mol
Exact Mass303.12
IUPAC NameN-ethyl-2-[(4-fluorophenyl)sulfanylmethyl]-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-amine
SMILESCCNc1nc(CSc2ccc(F)cc2)nc2c1CCC2
InChIInChI=1S/C16H18FN3S/c1-2-18-16-13-4-3-5-14(13)19-15(20-16)10-21-12-8-6-11(17)7-9-12/h6-9H,2-5,10H2,1H3,(H,18,19,20)
InChIKeyCUNCMPNKOZKAQU-UHFFFAOYSA-N
XLogP3.83
TPSA37.81 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.41
LogP ≤ 53.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze N-ethyl-2-[(4-fluorophenyl)sulfanylmethyl]-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-amine with MolForge

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

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of N-ethyl-2-[(4-fluorophenyl)sulfanylmethyl]-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-amine?
The IUPAC name of N-ethyl-2-[(4-fluorophenyl)sulfanylmethyl]-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-amine (CID 66065127) is N-ethyl-2-[(4-fluorophenyl)sulfanylmethyl]-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-amine.
What is the SMILES notation for N-ethyl-2-[(4-fluorophenyl)sulfanylmethyl]-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-amine?
The canonical SMILES for N-ethyl-2-[(4-fluorophenyl)sulfanylmethyl]-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-amine is CCNc1nc(CSc2ccc(F)cc2)nc2c1CCC2.
What is the InChIKey of N-ethyl-2-[(4-fluorophenyl)sulfanylmethyl]-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-amine?
The InChIKey is CUNCMPNKOZKAQU-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18FN3S/c1-2-18-16-13-4-3-5-14(13)19-15(20-16)10-21-12-8-6-11(17)7-9-12/h6-9H,2-5,10H2,1H3,(H,18,19,20).
What are the key properties of N-ethyl-2-[(4-fluorophenyl)sulfanylmethyl]-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-amine?
N-ethyl-2-[(4-fluorophenyl)sulfanylmethyl]-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-amine has a molecular weight of 303.41 g/mol, XLogP of 3.83, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-2-[(4-fluorophenyl)sulfanylmethyl]-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-amine is sourced from PubChem (CID 66065127), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).