5-fluoro-N-[[1-(thiophen-2-ylmethyl)piperidin-4-yl]methyl]pyrimidin-2-amine

C15H19FN4S — CID 122151089

IUPAC5-fluoro-N-[[1-(thiophen-2-ylmethyl)piperidin-4-yl]methyl]pyrimidin-2-amine
SMILESFc1cnc(NCC2CCN(Cc3cccs3)CC2)nc1
InChIInChI=1S/C15H19FN4S/c16-13-9-18-15(19-10-13)17-8-12-3-5-20(6-4-12)11-14-2-1-7-21-14/h1-2,7,9-10,12H,3-6,8,11H2,(H,17,18,19)
InChIKeyDYKZPVWWLMNEDA-UHFFFAOYSA-N
MW306.41 g/mol
LogP3.00
Rot. Bonds5

About 5-fluoro-N-[[1-(thiophen-2-ylmethyl)piperidin-4-yl]methyl]pyrimidin-2-amine

5-fluoro-N-[[1-(thiophen-2-ylmethyl)piperidin-4-yl]methyl]pyrimidin-2-amine (PubChem CID 122151089) has the molecular formula C15H19FN4S and a molecular weight of 306.41 g/mol. Its IUPAC name is 5-fluoro-N-[[1-(thiophen-2-ylmethyl)piperidin-4-yl]methyl]pyrimidin-2-amine.

Molecular Properties

Compound Name5-fluoro-N-[[1-(thiophen-2-ylmethyl)piperidin-4-yl]methyl]pyrimidin-2-amine
PubChem CID122151089
Molecular FormulaC15H19FN4S
Molecular Weight306.41 g/mol
Exact Mass306.13
IUPAC Name5-fluoro-N-[[1-(thiophen-2-ylmethyl)piperidin-4-yl]methyl]pyrimidin-2-amine
SMILESFc1cnc(NCC2CCN(Cc3cccs3)CC2)nc1
InChIInChI=1S/C15H19FN4S/c16-13-9-18-15(19-10-13)17-8-12-3-5-20(6-4-12)11-14-2-1-7-21-14/h1-2,7,9-10,12H,3-6,8,11H2,(H,17,18,19)
InChIKeyDYKZPVWWLMNEDA-UHFFFAOYSA-N
XLogP3.00
TPSA41.05 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.41
LogP ≤ 53.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

3,6-dimethyl-N-[[1-(thiophen-2-ylmethyl)piperidin-4-yl]methyl]pyrazin-2-amine
CID 133469202
2-methyl-N-[[1-(thiophen-2-ylmethyl)piperidin-4-yl]methyl]propan-2-amine
CID 62591872
2-cyclopropyl-N-[[1-(thiophen-2-ylmethyl)piperidin-4-yl]methyl]pyrimidin-4-amine
CID 133300088
1-(thiophen-2-ylmethyl)piperidin-4-amine;dihydrochloride
CID 22748866
2-amino-N-[[1-(thiophen-2-ylmethyl)piperidin-4-yl]methyl]acetamide
CID 119865468
3-(chloromethyl)-1-(thiophen-2-ylmethyl)pyrrolidine
CID 63388749
2-methyl-N-[[1-(thiophen-2-ylmethyl)pyrrolidin-3-yl]methyl]propan-2-amine
CID 55081480
N-[[(1S,3aR,7aR)-5-(thiophen-2-ylmethyl)-3,3a,4,6,7,7a-hexahydro-1H-furo[3,4-c]pyridin-1-yl]methyl]pyrimidin-2-amine
CID 97461798
N'-cyclohexyl-N-[[1-(thiophen-2-ylmethyl)piperidin-4-yl]methyl]oxamide
CID 16887351
2-methyl-1-propan-2-yl-3-[[1-(thiophen-2-ylmethyl)piperidin-4-yl]methyl]guanidine
CID 111125522
1-amino-N-[[1-(thiophen-2-ylmethyl)piperidin-4-yl]methyl]cyclopropane-1-carboxamide;dihydrochloride
CID 119865422
6-(3,5-dimethylpyrazol-1-yl)-N-[[1-(thiophen-2-ylmethyl)piperidin-4-yl]methyl]pyrazin-2-amine
CID 133284621

Frequently Asked Questions

What is the IUPAC name of 5-fluoro-N-[[1-(thiophen-2-ylmethyl)piperidin-4-yl]methyl]pyrimidin-2-amine?
The IUPAC name of 5-fluoro-N-[[1-(thiophen-2-ylmethyl)piperidin-4-yl]methyl]pyrimidin-2-amine (CID 122151089) is 5-fluoro-N-[[1-(thiophen-2-ylmethyl)piperidin-4-yl]methyl]pyrimidin-2-amine.
What is the SMILES notation for 5-fluoro-N-[[1-(thiophen-2-ylmethyl)piperidin-4-yl]methyl]pyrimidin-2-amine?
The canonical SMILES for 5-fluoro-N-[[1-(thiophen-2-ylmethyl)piperidin-4-yl]methyl]pyrimidin-2-amine is Fc1cnc(NCC2CCN(Cc3cccs3)CC2)nc1.
What is the InChIKey of 5-fluoro-N-[[1-(thiophen-2-ylmethyl)piperidin-4-yl]methyl]pyrimidin-2-amine?
The InChIKey is DYKZPVWWLMNEDA-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19FN4S/c16-13-9-18-15(19-10-13)17-8-12-3-5-20(6-4-12)11-14-2-1-7-21-14/h1-2,7,9-10,12H,3-6,8,11H2,(H,17,18,19).
What are the key properties of 5-fluoro-N-[[1-(thiophen-2-ylmethyl)piperidin-4-yl]methyl]pyrimidin-2-amine?
5-fluoro-N-[[1-(thiophen-2-ylmethyl)piperidin-4-yl]methyl]pyrimidin-2-amine has a molecular weight of 306.41 g/mol, XLogP of 3.00, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-fluoro-N-[[1-(thiophen-2-ylmethyl)piperidin-4-yl]methyl]pyrimidin-2-amine is sourced from PubChem (CID 122151089), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).