N-ethyl-6-(3-fluorophenyl)sulfanyl-5-methyl-2-propan-2-ylpyrimidin-4-amine

C16H20FN3S — CID 80995868

IUPACN-ethyl-6-(3-fluorophenyl)sulfanyl-5-methyl-2-propan-2-ylpyrimidin-4-amine
SMILESCCNc1nc(C(C)C)nc(Sc2cccc(F)c2)c1C
InChIInChI=1S/C16H20FN3S/c1-5-18-15-11(4)16(20-14(19-15)10(2)3)21-13-8-6-7-12(17)9-13/h6-10H,5H2,1-4H3,(H,18,19,20)
InChIKeyKIXHEXRCJSYSSC-UHFFFAOYSA-N
MW305.42 g/mol
LogP4.63
Rot. Bonds5

About N-ethyl-6-(3-fluorophenyl)sulfanyl-5-methyl-2-propan-2-ylpyrimidin-4-amine

N-ethyl-6-(3-fluorophenyl)sulfanyl-5-methyl-2-propan-2-ylpyrimidin-4-amine (PubChem CID 80995868) has the molecular formula C16H20FN3S and a molecular weight of 305.42 g/mol. Its IUPAC name is N-ethyl-6-(3-fluorophenyl)sulfanyl-5-methyl-2-propan-2-ylpyrimidin-4-amine.

Molecular Properties

Compound NameN-ethyl-6-(3-fluorophenyl)sulfanyl-5-methyl-2-propan-2-ylpyrimidin-4-amine
PubChem CID80995868
Molecular FormulaC16H20FN3S
Molecular Weight305.42 g/mol
Exact Mass305.14
IUPAC NameN-ethyl-6-(3-fluorophenyl)sulfanyl-5-methyl-2-propan-2-ylpyrimidin-4-amine
SMILESCCNc1nc(C(C)C)nc(Sc2cccc(F)c2)c1C
InChIInChI=1S/C16H20FN3S/c1-5-18-15-11(4)16(20-14(19-15)10(2)3)21-13-8-6-7-12(17)9-13/h6-10H,5H2,1-4H3,(H,18,19,20)
InChIKeyKIXHEXRCJSYSSC-UHFFFAOYSA-N
XLogP4.63
TPSA37.81 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.42
LogP ≤ 54.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-cyclopropyl-N-ethyl-6-(3-fluorophenyl)sulfanyl-5-methylpyrimidin-4-amine
CID 80995867
6-(3-fluorophenyl)sulfanyl-5-methyl-2-propan-2-ylpyrimidin-4-amine
CID 80995276
N-ethyl-5-methyl-6-methylsulfanyl-2-propan-2-ylpyrimidin-4-amine
CID 80990699
N,5-dimethyl-6-(3-methylphenyl)sulfanyl-2-propan-2-ylpyrimidin-4-amine
CID 80991106
5-bromo-N-ethyl-6-(3-fluorophenyl)sulfanylpyrimidin-4-amine
CID 114073920
N-ethyl-5-methyl-6-(1,3-oxazol-2-ylsulfanyl)-2-propan-2-ylpyrimidin-4-amine
CID 106928319
N-ethyl-2-[(3-fluorophenyl)sulfanylmethyl]-5,6-dimethylpyrimidin-4-amine
CID 66070669
N-ethyl-5-methyl-6-[(5-methyl-1H-1,2,4-triazol-3-yl)sulfanyl]-2-propan-2-ylpyrimidin-4-amine
CID 80991223
[6-(2,4-difluorophenyl)sulfanyl-5-methyl-2-propan-2-ylpyrimidin-4-yl]hydrazine
CID 81000644
N-ethyl-6-(3-fluorophenyl)sulfanylpyridin-2-amine
CID 80890333
6-N-ethyl-5-methyl-4-N-(2-methylpropyl)-2-propan-2-ylpyrimidine-4,6-diamine
CID 80980535
N-ethyl-4-(3-fluorophenyl)sulfanyl-6-methylthieno[2,3-d]pyrimidin-2-amine
CID 103335231

Frequently Asked Questions

What is the IUPAC name of N-ethyl-6-(3-fluorophenyl)sulfanyl-5-methyl-2-propan-2-ylpyrimidin-4-amine?
The IUPAC name of N-ethyl-6-(3-fluorophenyl)sulfanyl-5-methyl-2-propan-2-ylpyrimidin-4-amine (CID 80995868) is N-ethyl-6-(3-fluorophenyl)sulfanyl-5-methyl-2-propan-2-ylpyrimidin-4-amine.
What is the SMILES notation for N-ethyl-6-(3-fluorophenyl)sulfanyl-5-methyl-2-propan-2-ylpyrimidin-4-amine?
The canonical SMILES for N-ethyl-6-(3-fluorophenyl)sulfanyl-5-methyl-2-propan-2-ylpyrimidin-4-amine is CCNc1nc(C(C)C)nc(Sc2cccc(F)c2)c1C.
What is the InChIKey of N-ethyl-6-(3-fluorophenyl)sulfanyl-5-methyl-2-propan-2-ylpyrimidin-4-amine?
The InChIKey is KIXHEXRCJSYSSC-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20FN3S/c1-5-18-15-11(4)16(20-14(19-15)10(2)3)21-13-8-6-7-12(17)9-13/h6-10H,5H2,1-4H3,(H,18,19,20).
What are the key properties of N-ethyl-6-(3-fluorophenyl)sulfanyl-5-methyl-2-propan-2-ylpyrimidin-4-amine?
N-ethyl-6-(3-fluorophenyl)sulfanyl-5-methyl-2-propan-2-ylpyrimidin-4-amine has a molecular weight of 305.42 g/mol, XLogP of 4.63, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-6-(3-fluorophenyl)sulfanyl-5-methyl-2-propan-2-ylpyrimidin-4-amine is sourced from PubChem (CID 80995868), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).