N-[(3-fluoro-4-pyridinyl)-pyrimidin-2-ylmethyl]propan-1-amine

C13H15FN4 — CID 113447225

IUPACN-[(3-fluoro-4-pyridinyl)-pyrimidin-2-ylmethyl]propan-1-amine
SMILESCCCNC(c1ncccn1)c1ccncc1F
InChIInChI=1S/C13H15FN4/c1-2-5-16-12(13-17-6-3-7-18-13)10-4-8-15-9-11(10)14/h3-4,6-9,12,16H,2,5H2,1H3
InChIKeySFQKIWSBROZLAS-UHFFFAOYSA-N
MW246.29 g/mol
LogP2.10
Rot. Bonds5

About N-[(3-fluoro-4-pyridinyl)-pyrimidin-2-ylmethyl]propan-1-amine

N-[(3-fluoro-4-pyridinyl)-pyrimidin-2-ylmethyl]propan-1-amine (PubChem CID 113447225) has the molecular formula C13H15FN4 and a molecular weight of 246.29 g/mol. Its IUPAC name is N-[(3-fluoro-4-pyridinyl)-pyrimidin-2-ylmethyl]propan-1-amine.

Molecular Properties

Compound NameN-[(3-fluoro-4-pyridinyl)-pyrimidin-2-ylmethyl]propan-1-amine
PubChem CID113447225
Molecular FormulaC13H15FN4
Molecular Weight246.29 g/mol
Exact Mass246.13
IUPAC NameN-[(3-fluoro-4-pyridinyl)-pyrimidin-2-ylmethyl]propan-1-amine
SMILESCCCNC(c1ncccn1)c1ccncc1F
InChIInChI=1S/C13H15FN4/c1-2-5-16-12(13-17-6-3-7-18-13)10-4-8-15-9-11(10)14/h3-4,6-9,12,16H,2,5H2,1H3
InChIKeySFQKIWSBROZLAS-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-[(3-fluoro-4-pyridinyl)-pyridin-4-ylmethyl]propan-1-amine
CID 113447223
N-[(3-fluoro-4-pyridinyl)-(2-iodophenyl)methyl]propan-1-amine
CID 105038095
N-[(3-fluoro-4-pyridinyl)-(2,4,6-trifluorophenyl)methyl]propan-1-amine
CID 105038327
N-[(3-fluoro-4-pyridinyl)-pyridazin-4-ylmethyl]propan-1-amine
CID 105181955
N-[(2-chloro-6-fluorophenyl)-(3-fluoro-4-pyridinyl)methyl]propan-1-amine
CID 105038416
N-[(3-fluoro-4-pyridinyl)-(2-methyl-1,3-thiazol-5-yl)methyl]propan-1-amine
CID 114031712
N-[(5-chloro-2-methylphenyl)-(3-fluoro-4-pyridinyl)methyl]propan-1-amine
CID 105038130
N-[(2-bromo-4-methylphenyl)-(3-fluoro-4-pyridinyl)methyl]propan-1-amine
CID 105038165
N-[2,3-dihydro-1H-inden-5-yl-(3-fluoro-4-pyridinyl)methyl]propan-1-amine
CID 105038338
N-[1-(3-fluoro-4-pyridinyl)-2,2-dimethoxyethyl]propan-1-amine
CID 104738508
3,3,3-trifluoro-1-(3-fluoro-4-pyridinyl)-N-propyl-2-(trifluoromethyl)propan-1-amine
CID 103312287
N-[(5-fluoro-3-pyridinyl)-pyrimidin-2-ylmethyl]propan-1-amine
CID 54967240

Frequently Asked Questions

What is the IUPAC name of N-[(3-fluoro-4-pyridinyl)-pyrimidin-2-ylmethyl]propan-1-amine?
The IUPAC name of N-[(3-fluoro-4-pyridinyl)-pyrimidin-2-ylmethyl]propan-1-amine (CID 113447225) is N-[(3-fluoro-4-pyridinyl)-pyrimidin-2-ylmethyl]propan-1-amine.
What is the SMILES notation for N-[(3-fluoro-4-pyridinyl)-pyrimidin-2-ylmethyl]propan-1-amine?
The canonical SMILES for N-[(3-fluoro-4-pyridinyl)-pyrimidin-2-ylmethyl]propan-1-amine is CCCNC(c1ncccn1)c1ccncc1F.
What is the InChIKey of N-[(3-fluoro-4-pyridinyl)-pyrimidin-2-ylmethyl]propan-1-amine?
The InChIKey is SFQKIWSBROZLAS-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15FN4/c1-2-5-16-12(13-17-6-3-7-18-13)10-4-8-15-9-11(10)14/h3-4,6-9,12,16H,2,5H2,1H3.
What are the key properties of N-[(3-fluoro-4-pyridinyl)-pyrimidin-2-ylmethyl]propan-1-amine?
N-[(3-fluoro-4-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-[(3-fluoro-4-pyridinyl)-pyrimidin-2-ylmethyl]propan-1-amine is sourced from PubChem (CID 113447225), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).