2-[(3-fluorophenyl)sulfanylmethyl]-5,6-dimethyl-N-propylpyrimidin-4-amine

C16H20FN3S — CID 66070670

IUPAC2-[(3-fluorophenyl)sulfanylmethyl]-5,6-dimethyl-N-propylpyrimidin-4-amine
SMILESCCCNc1nc(CSc2cccc(F)c2)nc(C)c1C
InChIInChI=1S/C16H20FN3S/c1-4-8-18-16-11(2)12(3)19-15(20-16)10-21-14-7-5-6-13(17)9-14/h5-7,9H,4,8,10H2,1-3H3,(H,18,19,20)
InChIKeyPHYLGIIDGYECGC-UHFFFAOYSA-N
MW305.42 g/mol
LogP4.35
Rot. Bonds6

About 2-[(3-fluorophenyl)sulfanylmethyl]-5,6-dimethyl-N-propylpyrimidin-4-amine

2-[(3-fluorophenyl)sulfanylmethyl]-5,6-dimethyl-N-propylpyrimidin-4-amine (PubChem CID 66070670) has the molecular formula C16H20FN3S and a molecular weight of 305.42 g/mol. Its IUPAC name is 2-[(3-fluorophenyl)sulfanylmethyl]-5,6-dimethyl-N-propylpyrimidin-4-amine.

Molecular Properties

Compound Name2-[(3-fluorophenyl)sulfanylmethyl]-5,6-dimethyl-N-propylpyrimidin-4-amine
PubChem CID66070670
Molecular FormulaC16H20FN3S
Molecular Weight305.42 g/mol
Exact Mass305.14
IUPAC Name2-[(3-fluorophenyl)sulfanylmethyl]-5,6-dimethyl-N-propylpyrimidin-4-amine
SMILESCCCNc1nc(CSc2cccc(F)c2)nc(C)c1C
InChIInChI=1S/C16H20FN3S/c1-4-8-18-16-11(2)12(3)19-15(20-16)10-21-14-7-5-6-13(17)9-14/h5-7,9H,4,8,10H2,1-3H3,(H,18,19,20)
InChIKeyPHYLGIIDGYECGC-UHFFFAOYSA-N
XLogP4.35
TPSA37.81 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.42
LogP ≤ 54.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-ethyl-2-[(3-fluorophenyl)sulfanylmethyl]-5,6-dimethylpyrimidin-4-amine
CID 66070669
5-iodo-6-methyl-2-[(3-methylphenyl)sulfanylmethyl]-N-propylpyrimidin-4-amine
CID 66306920
2-[(3-fluorophenyl)sulfanylmethyl]-N,6-dimethyl-5-propan-2-ylpyrimidin-4-amine
CID 66071084
4,6-dichloro-2-[(3-fluorophenyl)sulfanylmethyl]-5-methylpyrimidine
CID 66073080
1-[2-[(3-fluorophenyl)sulfanylmethyl]-4,6-dimethylpyrimidin-5-yl]-N-methylmethanamine
CID 66071908
5-bromo-N-ethyl-2-[(3-fluorophenyl)sulfanylmethyl]pyrimidin-4-amine
CID 66304099
5-fluoro-2-[(2-fluorophenyl)sulfanylmethyl]-6-methyl-N-propylpyrimidin-4-amine
CID 66051944
N-[[3-[(3-fluorophenyl)sulfanylmethyl]-1,2,4-oxadiazol-5-yl]methyl]propan-1-amine
CID 66068042
2-[(3-fluorophenyl)sulfanylmethyl]-4-methyl-6,7-dihydro-5H-pyrrolo[3,4-d]pyrimidine
CID 114740167
[5-fluoro-6-methyl-2-[(3-methylphenyl)sulfanylmethyl]pyrimidin-4-yl]hydrazine
CID 66086639
N-ethyl-2-[(3-fluorophenyl)sulfanylmethyl]pyrimidin-4-amine
CID 66070463
4-amino-2-[(3-fluorophenyl)sulfanylmethyl]-6-methylpyrimidine-5-carboxamide
CID 116648127

Frequently Asked Questions

What is the IUPAC name of 2-[(3-fluorophenyl)sulfanylmethyl]-5,6-dimethyl-N-propylpyrimidin-4-amine?
The IUPAC name of 2-[(3-fluorophenyl)sulfanylmethyl]-5,6-dimethyl-N-propylpyrimidin-4-amine (CID 66070670) is 2-[(3-fluorophenyl)sulfanylmethyl]-5,6-dimethyl-N-propylpyrimidin-4-amine.
What is the SMILES notation for 2-[(3-fluorophenyl)sulfanylmethyl]-5,6-dimethyl-N-propylpyrimidin-4-amine?
The canonical SMILES for 2-[(3-fluorophenyl)sulfanylmethyl]-5,6-dimethyl-N-propylpyrimidin-4-amine is CCCNc1nc(CSc2cccc(F)c2)nc(C)c1C.
What is the InChIKey of 2-[(3-fluorophenyl)sulfanylmethyl]-5,6-dimethyl-N-propylpyrimidin-4-amine?
The InChIKey is PHYLGIIDGYECGC-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20FN3S/c1-4-8-18-16-11(2)12(3)19-15(20-16)10-21-14-7-5-6-13(17)9-14/h5-7,9H,4,8,10H2,1-3H3,(H,18,19,20).
What are the key properties of 2-[(3-fluorophenyl)sulfanylmethyl]-5,6-dimethyl-N-propylpyrimidin-4-amine?
2-[(3-fluorophenyl)sulfanylmethyl]-5,6-dimethyl-N-propylpyrimidin-4-amine has a molecular weight of 305.42 g/mol, XLogP of 4.35, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(3-fluorophenyl)sulfanylmethyl]-5,6-dimethyl-N-propylpyrimidin-4-amine is sourced from PubChem (CID 66070670), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).