N-[(3-fluorophenyl)-pyrimidin-2-ylmethyl]propan-1-amine

C14H16FN3 — CID 60818747

IUPACN-[(3-fluorophenyl)-pyrimidin-2-ylmethyl]propan-1-amine
SMILESCCCNC(c1cccc(F)c1)c1ncccn1
InChIInChI=1S/C14H16FN3/c1-2-7-16-13(14-17-8-4-9-18-14)11-5-3-6-12(15)10-11/h3-6,8-10,13,16H,2,7H2,1H3
InChIKeyKPBZCVFNJQEJBF-UHFFFAOYSA-N
MW245.30 g/mol
LogP2.70
Rot. Bonds5

About N-[(3-fluorophenyl)-pyrimidin-2-ylmethyl]propan-1-amine

N-[(3-fluorophenyl)-pyrimidin-2-ylmethyl]propan-1-amine (PubChem CID 60818747) has the molecular formula C14H16FN3 and a molecular weight of 245.30 g/mol. Its IUPAC name is N-[(3-fluorophenyl)-pyrimidin-2-ylmethyl]propan-1-amine.

Molecular Properties

Compound NameN-[(3-fluorophenyl)-pyrimidin-2-ylmethyl]propan-1-amine
PubChem CID60818747
Molecular FormulaC14H16FN3
Molecular Weight245.30 g/mol
Exact Mass245.13
IUPAC NameN-[(3-fluorophenyl)-pyrimidin-2-ylmethyl]propan-1-amine
SMILESCCCNC(c1cccc(F)c1)c1ncccn1
InChIInChI=1S/C14H16FN3/c1-2-7-16-13(14-17-8-4-9-18-14)11-5-3-6-12(15)10-11/h3-6,8-10,13,16H,2,7H2,1H3
InChIKeyKPBZCVFNJQEJBF-UHFFFAOYSA-N
XLogP2.70
TPSA37.81 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500245.30
LogP ≤ 52.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[(3-fluorophenyl)-(1,3-thiazol-2-yl)methyl]propan-1-amine
CID 61332798
N-[(3-ethyl-2-pyridinyl)-(3-fluorophenyl)methyl]propan-1-amine
CID 82741174
N-[(5-fluoro-3-pyridinyl)-pyrimidin-2-ylmethyl]propan-1-amine
CID 54967240
1-(3-fluorophenyl)-N-methyl-1-pyrimidin-2-ylmethanamine
CID 60818375
N-[naphthalen-2-yl(pyrimidin-2-yl)methyl]propan-1-amine
CID 62790717
N-[(3,4-dimethylphenyl)-(3-fluorophenyl)methyl]propan-1-amine
CID 43494013
N-[(4-fluoro-2,6-dimethylphenyl)-(3-fluorophenyl)methyl]propan-1-amine
CID 106878531
N-[(2,3-difluorophenyl)-(3-fluorophenyl)methyl]propan-1-amine
CID 63988399
N-[(3-fluorophenyl)-(5-methyl-3-pyridinyl)methyl]propan-1-amine
CID 115374247
N-[(2-ethylphenyl)-(3-fluorophenyl)methyl]propan-1-amine
CID 115791800
N-[(3-fluorophenyl)-(2-methylsulfanylphenyl)methyl]propan-1-amine
CID 115791989
N-[(3,6-dimethylpyridazin-4-yl)-(3-fluorophenyl)methyl]propan-1-amine
CID 105093062

Frequently Asked Questions

What is the IUPAC name of N-[(3-fluorophenyl)-pyrimidin-2-ylmethyl]propan-1-amine?
The IUPAC name of N-[(3-fluorophenyl)-pyrimidin-2-ylmethyl]propan-1-amine (CID 60818747) is N-[(3-fluorophenyl)-pyrimidin-2-ylmethyl]propan-1-amine.
What is the SMILES notation for N-[(3-fluorophenyl)-pyrimidin-2-ylmethyl]propan-1-amine?
The canonical SMILES for N-[(3-fluorophenyl)-pyrimidin-2-ylmethyl]propan-1-amine is CCCNC(c1cccc(F)c1)c1ncccn1.
What is the InChIKey of N-[(3-fluorophenyl)-pyrimidin-2-ylmethyl]propan-1-amine?
The InChIKey is KPBZCVFNJQEJBF-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16FN3/c1-2-7-16-13(14-17-8-4-9-18-14)11-5-3-6-12(15)10-11/h3-6,8-10,13,16H,2,7H2,1H3.
What are the key properties of N-[(3-fluorophenyl)-pyrimidin-2-ylmethyl]propan-1-amine?
N-[(3-fluorophenyl)-pyrimidin-2-ylmethyl]propan-1-amine has a molecular weight of 245.30 g/mol, XLogP of 2.70, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3-fluorophenyl)-pyrimidin-2-ylmethyl]propan-1-amine is sourced from PubChem (CID 60818747), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).