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

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Related Compounds

2-[(3-chlorophenyl)sulfanylmethyl]-N-ethyl-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-amine
CID 66147290
[2-[(3-fluorophenyl)sulfanylmethyl]-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-yl]hydrazine
CID 66072112
N-ethyl-2-(5-fluoro-2-methylphenyl)-5,6,7,8-tetrahydroquinazolin-4-amine
CID 63485255
N-ethyl-2-(2-phenylethyl)-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-amine
CID 62190523
2-(3,5-difluorophenyl)-N-ethyl-5,6,7,8-tetrahydroquinazolin-4-amine
CID 62191823
N-ethyl-2-(2,2,2-trifluoroethyl)-5,6,7,8-tetrahydroquinazolin-4-amine
CID 62191642
N-(5-methyl-1H-pyrazol-3-yl)-2-(phenylsulfanylmethyl)-5,6,7,8-tetrahydroquinazolin-4-amine
CID 10132660
2-[(3,4-dimethylphenyl)methyl]-N-ethyl-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-amine
CID 63487302
2-[(2-chlorophenyl)methyl]-N-ethyl-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-amine
CID 62190524
N-ethyl-3-[(4-fluorophenyl)sulfanylmethyl]-1,2,4-thiadiazol-5-amine
CID 66066330
N-ethyl-2-[(4-fluorophenyl)methyl]-7,8-dihydro-5H-pyrano[4,3-d]pyrimidin-4-amine
CID 106472394
2-[(4-chlorophenyl)sulfanylmethyl]-5,6,7,8-tetrahydroquinazolin-4-amine
CID 66143223

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).