N-[[1-(5-fluoropyrimidin-2-yl)piperidin-2-yl]methyl]propan-2-amine

C13H21FN4 — CID 104606614

IUPACN-[[1-(5-fluoropyrimidin-2-yl)piperidin-2-yl]methyl]propan-2-amine
SMILESCC(C)NCC1CCCCN1c1ncc(F)cn1
InChIInChI=1S/C13H21FN4/c1-10(2)15-9-12-5-3-4-6-18(12)13-16-7-11(14)8-17-13/h7-8,10,12,15H,3-6,9H2,1-2H3
InChIKeyOREZHZLVQNHNKS-UHFFFAOYSA-N
MW252.34 g/mol
LogP1.97
Rot. Bonds4

About N-[[1-(5-fluoropyrimidin-2-yl)piperidin-2-yl]methyl]propan-2-amine

N-[[1-(5-fluoropyrimidin-2-yl)piperidin-2-yl]methyl]propan-2-amine (PubChem CID 104606614) has the molecular formula C13H21FN4 and a molecular weight of 252.34 g/mol. Its IUPAC name is N-[[1-(5-fluoropyrimidin-2-yl)piperidin-2-yl]methyl]propan-2-amine.

Molecular Properties

Compound NameN-[[1-(5-fluoropyrimidin-2-yl)piperidin-2-yl]methyl]propan-2-amine
PubChem CID104606614
Molecular FormulaC13H21FN4
Molecular Weight252.34 g/mol
Exact Mass252.18
IUPAC NameN-[[1-(5-fluoropyrimidin-2-yl)piperidin-2-yl]methyl]propan-2-amine
SMILESCC(C)NCC1CCCCN1c1ncc(F)cn1
InChIInChI=1S/C13H21FN4/c1-10(2)15-9-12-5-3-4-6-18(12)13-16-7-11(14)8-17-13/h7-8,10,12,15H,3-6,9H2,1-2H3
InChIKeyOREZHZLVQNHNKS-UHFFFAOYSA-N
XLogP1.97
TPSA41.05 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.34
LogP ≤ 51.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-ethyl-1-[1-(5-fluoropyrimidin-2-yl)piperidin-2-yl]ethanamine
CID 104605826
[(2R)-1-(5-fluoropyrimidin-2-yl)piperidin-2-yl]methanol
CID 97169521
N-[1-[1-(5-fluoropyrimidin-2-yl)piperidin-2-yl]ethyl]propan-1-amine
CID 104605827
[1-(5-fluoropyrimidin-2-yl)pyrrolidin-2-yl]methanamine
CID 71644678
5-fluoro-2-[2-(piperidin-1-ylmethyl)pyrrolidin-1-yl]pyrimidine
CID 86801747
[1-[5-[(propan-2-ylamino)methyl]pyrimidin-2-yl]azepan-2-yl]methanol
CID 116635501
N-[[1-(2,6-dimethylpyrimidin-4-yl)piperidin-2-yl]methyl]propan-2-amine
CID 55218834
N-[[1-(4-methoxypyrimidin-2-yl)pyrrolidin-2-yl]methyl]propan-2-amine
CID 62591275
N-[[1-(4-ethyl-1,3-thiazol-2-yl)piperidin-2-yl]methyl]propan-2-amine
CID 62961398
N-[[1-(1,2,4-thiadiazol-5-yl)pyrrolidin-2-yl]methyl]propan-2-amine
CID 65280147
4-[[(2R)-1-(5-fluoropyrimidin-2-yl)pyrrolidin-2-yl]methyl]morpholine
CID 99714284
[1-(5-bromopyrimidin-2-yl)piperidin-2-yl]methanamine
CID 63872286

Frequently Asked Questions

What is the IUPAC name of N-[[1-(5-fluoropyrimidin-2-yl)piperidin-2-yl]methyl]propan-2-amine?
The IUPAC name of N-[[1-(5-fluoropyrimidin-2-yl)piperidin-2-yl]methyl]propan-2-amine (CID 104606614) is N-[[1-(5-fluoropyrimidin-2-yl)piperidin-2-yl]methyl]propan-2-amine.
What is the SMILES notation for N-[[1-(5-fluoropyrimidin-2-yl)piperidin-2-yl]methyl]propan-2-amine?
The canonical SMILES for N-[[1-(5-fluoropyrimidin-2-yl)piperidin-2-yl]methyl]propan-2-amine is CC(C)NCC1CCCCN1c1ncc(F)cn1.
What is the InChIKey of N-[[1-(5-fluoropyrimidin-2-yl)piperidin-2-yl]methyl]propan-2-amine?
The InChIKey is OREZHZLVQNHNKS-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H21FN4/c1-10(2)15-9-12-5-3-4-6-18(12)13-16-7-11(14)8-17-13/h7-8,10,12,15H,3-6,9H2,1-2H3.
What are the key properties of N-[[1-(5-fluoropyrimidin-2-yl)piperidin-2-yl]methyl]propan-2-amine?
N-[[1-(5-fluoropyrimidin-2-yl)piperidin-2-yl]methyl]propan-2-amine has a molecular weight of 252.34 g/mol, XLogP of 1.97, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[1-(5-fluoropyrimidin-2-yl)piperidin-2-yl]methyl]propan-2-amine is sourced from PubChem (CID 104606614), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).