N-[(5-fluoro-3-pyridinyl)-pyrimidin-2-ylmethyl]propan-1-amine

C13H15FN4 — CID 54967240

IUPACN-[(5-fluoro-3-pyridinyl)-pyrimidin-2-ylmethyl]propan-1-amine
SMILESCCCNC(c1cncc(F)c1)c1ncccn1
InChIInChI=1S/C13H15FN4/c1-2-4-16-12(13-17-5-3-6-18-13)10-7-11(14)9-15-8-10/h3,5-9,12,16H,2,4H2,1H3
InChIKeyWZBWJRMTRWESSA-UHFFFAOYSA-N
MW246.29 g/mol
LogP2.10
Rot. Bonds5

About N-[(5-fluoro-3-pyridinyl)-pyrimidin-2-ylmethyl]propan-1-amine

N-[(5-fluoro-3-pyridinyl)-pyrimidin-2-ylmethyl]propan-1-amine (PubChem CID 54967240) has the molecular formula C13H15FN4 and a molecular weight of 246.29 g/mol. Its IUPAC name is N-[(5-fluoro-3-pyridinyl)-pyrimidin-2-ylmethyl]propan-1-amine.

Molecular Properties

Compound NameN-[(5-fluoro-3-pyridinyl)-pyrimidin-2-ylmethyl]propan-1-amine
PubChem CID54967240
Molecular FormulaC13H15FN4
Molecular Weight246.29 g/mol
Exact Mass246.13
IUPAC NameN-[(5-fluoro-3-pyridinyl)-pyrimidin-2-ylmethyl]propan-1-amine
SMILESCCCNC(c1cncc(F)c1)c1ncccn1
InChIInChI=1S/C13H15FN4/c1-2-4-16-12(13-17-5-3-6-18-13)10-7-11(14)9-15-8-10/h3,5-9,12,16H,2,4H2,1H3
InChIKeyWZBWJRMTRWESSA-UHFFFAOYSA-N
XLogP2.10
TPSA50.70 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500246.29
LogP ≤ 52.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[bis(5-fluoro-3-pyridinyl)methyl]propan-1-amine
CID 105102198
N-[(3-fluorophenyl)-pyrimidin-2-ylmethyl]propan-1-amine
CID 60818747
N-[(3-chloro-2-pyridinyl)-(5-fluoro-3-pyridinyl)methyl]propan-1-amine
CID 103444765
N-[(5-fluoro-3-pyridinyl)-pyridazin-4-ylmethyl]propan-1-amine
CID 105102315
N-[(2-bromo-5-fluorophenyl)-(5-fluoro-3-pyridinyl)methyl]propan-1-amine
CID 115805273
N-[(2-bromo-6-fluorophenyl)-(5-fluoro-3-pyridinyl)methyl]propan-1-amine
CID 114887388
N-[(5-ethylthiophen-2-yl)-(5-fluoro-3-pyridinyl)methyl]propan-1-amine
CID 115804512
N-[(1,5-dimethylpyrazol-4-yl)-(5-fluoro-3-pyridinyl)methyl]propan-1-amine
CID 105102033
N-[(3-fluoro-4-pyridinyl)-pyrimidin-2-ylmethyl]propan-1-amine
CID 113447225
N-[(3-fluorophenyl)-(5-methyl-3-pyridinyl)methyl]propan-1-amine
CID 115374247
N-[(3-fluoro-4-methoxyphenyl)-(5-fluoro-3-pyridinyl)methyl]propan-1-amine
CID 115804098
N-[(3-fluoro-2-pyridinyl)-(5-methyl-3-pyridinyl)methyl]propan-1-amine
CID 115374969

Frequently Asked Questions

What is the IUPAC name of N-[(5-fluoro-3-pyridinyl)-pyrimidin-2-ylmethyl]propan-1-amine?
The IUPAC name of N-[(5-fluoro-3-pyridinyl)-pyrimidin-2-ylmethyl]propan-1-amine (CID 54967240) is N-[(5-fluoro-3-pyridinyl)-pyrimidin-2-ylmethyl]propan-1-amine.
What is the SMILES notation for N-[(5-fluoro-3-pyridinyl)-pyrimidin-2-ylmethyl]propan-1-amine?
The canonical SMILES for N-[(5-fluoro-3-pyridinyl)-pyrimidin-2-ylmethyl]propan-1-amine is CCCNC(c1cncc(F)c1)c1ncccn1.
What is the InChIKey of N-[(5-fluoro-3-pyridinyl)-pyrimidin-2-ylmethyl]propan-1-amine?
The InChIKey is WZBWJRMTRWESSA-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15FN4/c1-2-4-16-12(13-17-5-3-6-18-13)10-7-11(14)9-15-8-10/h3,5-9,12,16H,2,4H2,1H3.
What are the key properties of N-[(5-fluoro-3-pyridinyl)-pyrimidin-2-ylmethyl]propan-1-amine?
N-[(5-fluoro-3-pyridinyl)-pyrimidin-2-ylmethyl]propan-1-amine has a molecular weight of 246.29 g/mol, XLogP of 2.10, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(5-fluoro-3-pyridinyl)-pyrimidin-2-ylmethyl]propan-1-amine is sourced from PubChem (CID 54967240), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).