N-[(3-fluoro-5-pyrido[3,2-d]pyrimidin-6-ylphenyl)methyl]-1-(oxan-4-yl)methanamine

C20H21FN4O — CID 141388856

IUPACN-[(3-fluoro-5-pyrido[3,2-d]pyrimidin-6-ylphenyl)methyl]-1-(oxan-4-yl)methanamine
SMILESFc1cc(CNCC2CCOCC2)cc(-c2ccc3ncncc3n2)c1
InChIInChI=1S/C20H21FN4O/c21-17-8-15(11-22-10-14-3-5-26-6-4-14)7-16(9-17)18-1-2-19-20(25-18)12-23-13-24-19/h1-2,7-9,12-14,22H,3-6,10-11H2
InChIKeyKCVAKAUCEHXCAB-UHFFFAOYSA-N
MW352.41 g/mol
LogP3.35
Rot. Bonds5

About N-[(3-fluoro-5-pyrido[3,2-d]pyrimidin-6-ylphenyl)methyl]-1-(oxan-4-yl)methanamine

N-[(3-fluoro-5-pyrido[3,2-d]pyrimidin-6-ylphenyl)methyl]-1-(oxan-4-yl)methanamine (PubChem CID 141388856) has the molecular formula C20H21FN4O and a molecular weight of 352.41 g/mol. Its IUPAC name is N-[(3-fluoro-5-pyrido[3,2-d]pyrimidin-6-ylphenyl)methyl]-1-(oxan-4-yl)methanamine.

Molecular Properties

Compound NameN-[(3-fluoro-5-pyrido[3,2-d]pyrimidin-6-ylphenyl)methyl]-1-(oxan-4-yl)methanamine
PubChem CID141388856
Molecular FormulaC20H21FN4O
Molecular Weight352.41 g/mol
Exact Mass352.17
IUPAC NameN-[(3-fluoro-5-pyrido[3,2-d]pyrimidin-6-ylphenyl)methyl]-1-(oxan-4-yl)methanamine
SMILESFc1cc(CNCC2CCOCC2)cc(-c2ccc3ncncc3n2)c1
InChIInChI=1S/C20H21FN4O/c21-17-8-15(11-22-10-14-3-5-26-6-4-14)7-16(9-17)18-1-2-19-20(25-18)12-23-13-24-19/h1-2,7-9,12-14,22H,3-6,10-11H2
InChIKeyKCVAKAUCEHXCAB-UHFFFAOYSA-N
XLogP3.35
TPSA59.93 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500352.41
LogP ≤ 53.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

6-[3-fluoro-5-[(oxolan-3-ylmethylamino)methyl]phenyl]pyrido[3,2-d]pyrimidin-4-amine
CID 90055141
6-[3-[(cyclopentylamino)methyl]-5-fluorophenyl]pyrido[3,2-d]pyrimidin-4-amine
CID 90017363
6-(4-fluorophenyl)pyrido[3,2-d]pyrimidine
CID 68841317
6-[3-[(cyclopentylamino)methyl]-5-fluorophenyl]pyrido[3,2-d]pyrimidin-4-amine;hydrochloride
CID 122602546
6-[3-fluoro-5-[[(1-methylpiperidin-4-yl)amino]methyl]phenyl]pyrido[3,2-d]pyrimidin-4-amine
CID 90054806
N-(naphthalen-2-ylmethyl)-1-(oxan-4-yl)methanamine
CID 62351212
1-(oxan-4-yl)-N-(pyrimidin-2-ylmethyl)methanamine
CID 63712207
1-(oxan-4-yl)-N-[(4-phenylphenyl)methyl]methanamine
CID 62351928
4-fluoro-2-[(oxan-4-ylmethylamino)methyl]phenol
CID 103948383
1-(oxolan-3-yl)-N-(pyrimidin-4-ylmethyl)methanamine
CID 62748187
1-cyclopentyl-N-[[5-[3-[7-(3-fluoro-5-methylphenyl)-3H-imidazo[4,5-c]pyridin-2-yl]-1H-pyrazolo[4,3-b]pyridin-5-yl]-3-pyridinyl]methyl]methanamine
CID 137308692
2-[[3-(4-aminopyrido[3,2-d]pyrimidin-6-yl)-5-fluorophenyl]methylamino]propan-1-ol;6-[3-fluoro-5-[(2-methylpropylamino)methyl]phenyl]pyrido[3,2-d]pyrimidin-4-amine;hydrochloride
CID 172841370

Frequently Asked Questions

What is the IUPAC name of N-[(3-fluoro-5-pyrido[3,2-d]pyrimidin-6-ylphenyl)methyl]-1-(oxan-4-yl)methanamine?
The IUPAC name of N-[(3-fluoro-5-pyrido[3,2-d]pyrimidin-6-ylphenyl)methyl]-1-(oxan-4-yl)methanamine (CID 141388856) is N-[(3-fluoro-5-pyrido[3,2-d]pyrimidin-6-ylphenyl)methyl]-1-(oxan-4-yl)methanamine.
What is the SMILES notation for N-[(3-fluoro-5-pyrido[3,2-d]pyrimidin-6-ylphenyl)methyl]-1-(oxan-4-yl)methanamine?
The canonical SMILES for N-[(3-fluoro-5-pyrido[3,2-d]pyrimidin-6-ylphenyl)methyl]-1-(oxan-4-yl)methanamine is Fc1cc(CNCC2CCOCC2)cc(-c2ccc3ncncc3n2)c1.
What is the InChIKey of N-[(3-fluoro-5-pyrido[3,2-d]pyrimidin-6-ylphenyl)methyl]-1-(oxan-4-yl)methanamine?
The InChIKey is KCVAKAUCEHXCAB-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H21FN4O/c21-17-8-15(11-22-10-14-3-5-26-6-4-14)7-16(9-17)18-1-2-19-20(25-18)12-23-13-24-19/h1-2,7-9,12-14,22H,3-6,10-11H2.
What are the key properties of N-[(3-fluoro-5-pyrido[3,2-d]pyrimidin-6-ylphenyl)methyl]-1-(oxan-4-yl)methanamine?
N-[(3-fluoro-5-pyrido[3,2-d]pyrimidin-6-ylphenyl)methyl]-1-(oxan-4-yl)methanamine has a molecular weight of 352.41 g/mol, XLogP of 3.35, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3-fluoro-5-pyrido[3,2-d]pyrimidin-6-ylphenyl)methyl]-1-(oxan-4-yl)methanamine is sourced from PubChem (CID 141388856), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).