2-cyclopropyl-N-ethyl-6-(3-fluorophenyl)sulfanyl-5-methylpyrimidin-4-amine

C16H18FN3S — CID 80995867

IUPAC2-cyclopropyl-N-ethyl-6-(3-fluorophenyl)sulfanyl-5-methylpyrimidin-4-amine
SMILESCCNc1nc(C2CC2)nc(Sc2cccc(F)c2)c1C
InChIInChI=1S/C16H18FN3S/c1-3-18-14-10(2)16(20-15(19-14)11-7-8-11)21-13-6-4-5-12(17)9-13/h4-6,9,11H,3,7-8H2,1-2H3,(H,18,19,20)
InChIKeyWCFAOGFXPAYPBM-UHFFFAOYSA-N
MW303.41 g/mol
LogP4.38
Rot. Bonds5

About 2-cyclopropyl-N-ethyl-6-(3-fluorophenyl)sulfanyl-5-methylpyrimidin-4-amine

2-cyclopropyl-N-ethyl-6-(3-fluorophenyl)sulfanyl-5-methylpyrimidin-4-amine (PubChem CID 80995867) has the molecular formula C16H18FN3S and a molecular weight of 303.41 g/mol. Its IUPAC name is 2-cyclopropyl-N-ethyl-6-(3-fluorophenyl)sulfanyl-5-methylpyrimidin-4-amine.

Molecular Properties

Compound Name2-cyclopropyl-N-ethyl-6-(3-fluorophenyl)sulfanyl-5-methylpyrimidin-4-amine
PubChem CID80995867
Molecular FormulaC16H18FN3S
Molecular Weight303.41 g/mol
Exact Mass303.12
IUPAC Name2-cyclopropyl-N-ethyl-6-(3-fluorophenyl)sulfanyl-5-methylpyrimidin-4-amine
SMILESCCNc1nc(C2CC2)nc(Sc2cccc(F)c2)c1C
InChIInChI=1S/C16H18FN3S/c1-3-18-14-10(2)16(20-15(19-14)11-7-8-11)21-13-6-4-5-12(17)9-13/h4-6,9,11H,3,7-8H2,1-2H3,(H,18,19,20)
InChIKeyWCFAOGFXPAYPBM-UHFFFAOYSA-N
XLogP4.38
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 ≤ 54.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-ethyl-6-(3-fluorophenyl)sulfanyl-5-methyl-2-propan-2-ylpyrimidin-4-amine
CID 80995868
6-(2-chlorophenyl)sulfanyl-2-cyclopropyl-N-ethyl-5-methylpyrimidin-4-amine
CID 80989884
2-cyclopropyl-N-ethyl-5-methyl-6-pyridin-2-ylsulfanylpyrimidin-4-amine
CID 80990645
2-cyclopropyl-6-(4-fluorophenyl)sulfanyl-N,5-dimethylpyrimidin-4-amine
CID 80989965
2-cyclopropyl-6-(3-fluorophenyl)-5-methyl-N-propylpyrimidin-4-amine
CID 80977815
[6-(3-bromophenyl)sulfanyl-2-cyclopropyl-5-methylpyrimidin-4-yl]hydrazine
CID 81001755
6-[(5-chloro-2-pyridinyl)sulfanyl]-2-cyclopropyl-N-ethyl-5-methylpyrimidin-4-amine
CID 80994859
6-[(5-bromo-2-pyridinyl)sulfanyl]-2-cyclopropyl-N-ethyl-5-methylpyrimidin-4-amine
CID 80995476
(2-cyclopropyl-5-methyl-6-phenylsulfanylpyrimidin-4-yl)hydrazine
CID 81000447
6-butylsulfanyl-2-cyclopropyl-N-ethyl-5-methylpyrimidin-4-amine
CID 80990882
5-bromo-N-ethyl-6-(3-fluorophenyl)sulfanylpyrimidin-4-amine
CID 114073920
6-chloro-2-cyclopropyl-N-[(3-fluorophenyl)methyl]-5-methylpyrimidin-4-amine
CID 80970425

Frequently Asked Questions

What is the IUPAC name of 2-cyclopropyl-N-ethyl-6-(3-fluorophenyl)sulfanyl-5-methylpyrimidin-4-amine?
The IUPAC name of 2-cyclopropyl-N-ethyl-6-(3-fluorophenyl)sulfanyl-5-methylpyrimidin-4-amine (CID 80995867) is 2-cyclopropyl-N-ethyl-6-(3-fluorophenyl)sulfanyl-5-methylpyrimidin-4-amine.
What is the SMILES notation for 2-cyclopropyl-N-ethyl-6-(3-fluorophenyl)sulfanyl-5-methylpyrimidin-4-amine?
The canonical SMILES for 2-cyclopropyl-N-ethyl-6-(3-fluorophenyl)sulfanyl-5-methylpyrimidin-4-amine is CCNc1nc(C2CC2)nc(Sc2cccc(F)c2)c1C.
What is the InChIKey of 2-cyclopropyl-N-ethyl-6-(3-fluorophenyl)sulfanyl-5-methylpyrimidin-4-amine?
The InChIKey is WCFAOGFXPAYPBM-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18FN3S/c1-3-18-14-10(2)16(20-15(19-14)11-7-8-11)21-13-6-4-5-12(17)9-13/h4-6,9,11H,3,7-8H2,1-2H3,(H,18,19,20).
What are the key properties of 2-cyclopropyl-N-ethyl-6-(3-fluorophenyl)sulfanyl-5-methylpyrimidin-4-amine?
2-cyclopropyl-N-ethyl-6-(3-fluorophenyl)sulfanyl-5-methylpyrimidin-4-amine has a molecular weight of 303.41 g/mol, XLogP of 4.38, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyclopropyl-N-ethyl-6-(3-fluorophenyl)sulfanyl-5-methylpyrimidin-4-amine is sourced from PubChem (CID 80995867), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).