N-[(4-fluorophenyl)-(6-methoxypyrimidin-4-yl)methyl]propan-1-amine

C15H18FN3O — CID 102952263

IUPACN-[(4-fluorophenyl)-(6-methoxypyrimidin-4-yl)methyl]propan-1-amine
SMILESCCCNC(c1ccc(F)cc1)c1cc(OC)ncn1
InChIInChI=1S/C15H18FN3O/c1-3-8-17-15(11-4-6-12(16)7-5-11)13-9-14(20-2)19-10-18-13/h4-7,9-10,15,17H,3,8H2,1-2H3
InChIKeyUXKGDGVOCIADCG-UHFFFAOYSA-N
MW275.33 g/mol
LogP2.71
Rot. Bonds6

About N-[(4-fluorophenyl)-(6-methoxypyrimidin-4-yl)methyl]propan-1-amine

N-[(4-fluorophenyl)-(6-methoxypyrimidin-4-yl)methyl]propan-1-amine (PubChem CID 102952263) has the molecular formula C15H18FN3O and a molecular weight of 275.33 g/mol. Its IUPAC name is N-[(4-fluorophenyl)-(6-methoxypyrimidin-4-yl)methyl]propan-1-amine.

Molecular Properties

Compound NameN-[(4-fluorophenyl)-(6-methoxypyrimidin-4-yl)methyl]propan-1-amine
PubChem CID102952263
Molecular FormulaC15H18FN3O
Molecular Weight275.33 g/mol
Exact Mass275.14
IUPAC NameN-[(4-fluorophenyl)-(6-methoxypyrimidin-4-yl)methyl]propan-1-amine
SMILESCCCNC(c1ccc(F)cc1)c1cc(OC)ncn1
InChIInChI=1S/C15H18FN3O/c1-3-8-17-15(11-4-6-12(16)7-5-11)13-9-14(20-2)19-10-18-13/h4-7,9-10,15,17H,3,8H2,1-2H3
InChIKeyUXKGDGVOCIADCG-UHFFFAOYSA-N
XLogP2.71
TPSA47.04 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.33
LogP ≤ 52.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[(3-chloro-4-methylphenyl)-(6-methoxypyrimidin-4-yl)methyl]propan-1-amine
CID 107560806
N-[(6-methoxypyrimidin-4-yl)-pyridin-3-ylmethyl]propan-1-amine
CID 102952423
N-[(3-fluoro-5-methylphenyl)-(6-methoxypyrimidin-4-yl)methyl]ethanamine
CID 102951759
N-[(3-fluoro-4-methoxyphenyl)-(6-methoxypyrimidin-4-yl)methyl]ethanamine
CID 102951792
N-[(6-methoxypyrimidin-4-yl)-(4-methyl-3-pyridinyl)methyl]propan-1-amine
CID 102952316
N-[bis(4-fluorophenyl)methyl]propan-1-amine
CID 43389379
N-[cyclopropyl-(6-methoxypyrimidin-4-yl)methyl]propan-1-amine
CID 102952243
N-[cyclohexen-1-yl-(6-methoxypyrimidin-4-yl)methyl]propan-1-amine
CID 106654794
N-[(4-methoxyphenyl)-(4-methyl-2-pyridinyl)methyl]propan-1-amine
CID 63839602
1-(3,4-difluorophenyl)-1-(6-methoxypyrimidin-4-yl)-N-methylmethanamine
CID 102951022
N-[(2-fluoro-3-methoxyphenyl)-(6-methoxypyrimidin-4-yl)methyl]ethanamine
CID 102951729
N-[(3,4-dichlorophenyl)-(4-fluorophenyl)methyl]propan-1-amine
CID 43494689

Frequently Asked Questions

What is the IUPAC name of N-[(4-fluorophenyl)-(6-methoxypyrimidin-4-yl)methyl]propan-1-amine?
The IUPAC name of N-[(4-fluorophenyl)-(6-methoxypyrimidin-4-yl)methyl]propan-1-amine (CID 102952263) is N-[(4-fluorophenyl)-(6-methoxypyrimidin-4-yl)methyl]propan-1-amine.
What is the SMILES notation for N-[(4-fluorophenyl)-(6-methoxypyrimidin-4-yl)methyl]propan-1-amine?
The canonical SMILES for N-[(4-fluorophenyl)-(6-methoxypyrimidin-4-yl)methyl]propan-1-amine is CCCNC(c1ccc(F)cc1)c1cc(OC)ncn1.
What is the InChIKey of N-[(4-fluorophenyl)-(6-methoxypyrimidin-4-yl)methyl]propan-1-amine?
The InChIKey is UXKGDGVOCIADCG-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18FN3O/c1-3-8-17-15(11-4-6-12(16)7-5-11)13-9-14(20-2)19-10-18-13/h4-7,9-10,15,17H,3,8H2,1-2H3.
What are the key properties of N-[(4-fluorophenyl)-(6-methoxypyrimidin-4-yl)methyl]propan-1-amine?
N-[(4-fluorophenyl)-(6-methoxypyrimidin-4-yl)methyl]propan-1-amine has a molecular weight of 275.33 g/mol, XLogP of 2.71, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4-fluorophenyl)-(6-methoxypyrimidin-4-yl)methyl]propan-1-amine is sourced from PubChem (CID 102952263), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).