6-cyclopropyl-N-ethyl-2-[(2-fluorophenyl)sulfanylmethyl]pyrimidin-4-amine

C16H18FN3S — CID 66051940

IUPAC6-cyclopropyl-N-ethyl-2-[(2-fluorophenyl)sulfanylmethyl]pyrimidin-4-amine
SMILESCCNc1cc(C2CC2)nc(CSc2ccccc2F)n1
InChIInChI=1S/C16H18FN3S/c1-2-18-15-9-13(11-7-8-11)19-16(20-15)10-21-14-6-4-3-5-12(14)17/h3-6,9,11H,2,7-8,10H2,1H3,(H,18,19,20)
InChIKeyLRGGWFZREXTIPW-UHFFFAOYSA-N
MW303.41 g/mol
LogP4.22
Rot. Bonds6

About 6-cyclopropyl-N-ethyl-2-[(2-fluorophenyl)sulfanylmethyl]pyrimidin-4-amine

6-cyclopropyl-N-ethyl-2-[(2-fluorophenyl)sulfanylmethyl]pyrimidin-4-amine (PubChem CID 66051940) has the molecular formula C16H18FN3S and a molecular weight of 303.41 g/mol. Its IUPAC name is 6-cyclopropyl-N-ethyl-2-[(2-fluorophenyl)sulfanylmethyl]pyrimidin-4-amine.

Molecular Properties

Compound Name6-cyclopropyl-N-ethyl-2-[(2-fluorophenyl)sulfanylmethyl]pyrimidin-4-amine
PubChem CID66051940
Molecular FormulaC16H18FN3S
Molecular Weight303.41 g/mol
Exact Mass303.12
IUPAC Name6-cyclopropyl-N-ethyl-2-[(2-fluorophenyl)sulfanylmethyl]pyrimidin-4-amine
SMILESCCNc1cc(C2CC2)nc(CSc2ccccc2F)n1
InChIInChI=1S/C16H18FN3S/c1-2-18-15-9-13(11-7-8-11)19-16(20-15)10-21-14-6-4-3-5-12(14)17/h3-6,9,11H,2,7-8,10H2,1H3,(H,18,19,20)
InChIKeyLRGGWFZREXTIPW-UHFFFAOYSA-N
XLogP4.22
TPSA37.81 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.41
LogP ≤ 54.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

6-cyclopropyl-N-ethyl-2-[(2-fluorophenyl)methyl]pyrimidin-4-amine
CID 63354267
N-ethyl-2-[(2-fluorophenyl)sulfanylmethyl]pyrimidin-4-amine
CID 66051754
[6-cyclopropyl-2-[(2-methylphenyl)sulfanylmethyl]pyrimidin-4-yl]hydrazine
CID 66097189
6-cyclopentyl-N-ethyl-2-(ethylsulfanylmethyl)pyrimidin-4-amine
CID 113390479
6-cyclopropyl-N-ethyl-2-(2-phenylpropan-2-yl)pyrimidin-4-amine
CID 63354175
N-ethyl-6-(methoxymethyl)-2-[(2-methylphenyl)sulfanylmethyl]pyrimidin-4-amine
CID 66098661
4,6-dichloro-2-[(2-fluorophenyl)sulfanylmethyl]pyrimidine
CID 66052660
5-fluoro-2-[(2-fluorophenyl)sulfanylmethyl]-6-methyl-N-propylpyrimidin-4-amine
CID 66051944
6-cyclopropyl-N-ethyl-2-(2-methoxyphenyl)pyrimidin-4-amine
CID 63354262
4,6-dichloro-5-fluoro-2-[(2-fluorophenyl)sulfanylmethyl]pyrimidine
CID 80550431
2-(3-chloro-2-fluorophenyl)-6-cyclopropyl-N-ethylpyrimidin-4-amine
CID 114488701
4-cyclopentyl-6-[(2-fluorophenyl)sulfanylmethyl]-1,3,5-triazin-2-amine
CID 66083075

Frequently Asked Questions

What is the IUPAC name of 6-cyclopropyl-N-ethyl-2-[(2-fluorophenyl)sulfanylmethyl]pyrimidin-4-amine?
The IUPAC name of 6-cyclopropyl-N-ethyl-2-[(2-fluorophenyl)sulfanylmethyl]pyrimidin-4-amine (CID 66051940) is 6-cyclopropyl-N-ethyl-2-[(2-fluorophenyl)sulfanylmethyl]pyrimidin-4-amine.
What is the SMILES notation for 6-cyclopropyl-N-ethyl-2-[(2-fluorophenyl)sulfanylmethyl]pyrimidin-4-amine?
The canonical SMILES for 6-cyclopropyl-N-ethyl-2-[(2-fluorophenyl)sulfanylmethyl]pyrimidin-4-amine is CCNc1cc(C2CC2)nc(CSc2ccccc2F)n1.
What is the InChIKey of 6-cyclopropyl-N-ethyl-2-[(2-fluorophenyl)sulfanylmethyl]pyrimidin-4-amine?
The InChIKey is LRGGWFZREXTIPW-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18FN3S/c1-2-18-15-9-13(11-7-8-11)19-16(20-15)10-21-14-6-4-3-5-12(14)17/h3-6,9,11H,2,7-8,10H2,1H3,(H,18,19,20).
What are the key properties of 6-cyclopropyl-N-ethyl-2-[(2-fluorophenyl)sulfanylmethyl]pyrimidin-4-amine?
6-cyclopropyl-N-ethyl-2-[(2-fluorophenyl)sulfanylmethyl]pyrimidin-4-amine has a molecular weight of 303.41 g/mol, XLogP of 4.22, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-cyclopropyl-N-ethyl-2-[(2-fluorophenyl)sulfanylmethyl]pyrimidin-4-amine is sourced from PubChem (CID 66051940), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).