4-[6-(4-fluorophenyl)-2-(morpholin-4-ylmethyl)pyrido[3,2-d]pyrimidin-4-yl]morpholine

C22H24FN5O2 — CID 110172246

IUPAC4-[6-(4-fluorophenyl)-2-(morpholin-4-ylmethyl)pyrido[3,2-d]pyrimidin-4-yl]morpholine
SMILESFc1ccc(-c2ccc3nc(CN4CCOCC4)nc(N4CCOCC4)c3n2)cc1
InChIInChI=1S/C22H24FN5O2/c23-17-3-1-16(2-4-17)18-5-6-19-21(25-18)22(28-9-13-30-14-10-28)26-20(24-19)15-27-7-11-29-12-8-27/h1-6H,7-15H2
InChIKeyJSTFVURDKYEFIQ-UHFFFAOYSA-N
MW409.47 g/mol
LogP2.50
Rot. Bonds4

About 4-[6-(4-fluorophenyl)-2-(morpholin-4-ylmethyl)pyrido[3,2-d]pyrimidin-4-yl]morpholine

4-[6-(4-fluorophenyl)-2-(morpholin-4-ylmethyl)pyrido[3,2-d]pyrimidin-4-yl]morpholine (PubChem CID 110172246) has the molecular formula C22H24FN5O2 and a molecular weight of 409.47 g/mol. Its IUPAC name is 4-[6-(4-fluorophenyl)-2-(morpholin-4-ylmethyl)pyrido[3,2-d]pyrimidin-4-yl]morpholine.

Molecular Properties

Compound Name4-[6-(4-fluorophenyl)-2-(morpholin-4-ylmethyl)pyrido[3,2-d]pyrimidin-4-yl]morpholine
PubChem CID110172246
Molecular FormulaC22H24FN5O2
Molecular Weight409.47 g/mol
Exact Mass409.19
IUPAC Name4-[6-(4-fluorophenyl)-2-(morpholin-4-ylmethyl)pyrido[3,2-d]pyrimidin-4-yl]morpholine
SMILESFc1ccc(-c2ccc3nc(CN4CCOCC4)nc(N4CCOCC4)c3n2)cc1
InChIInChI=1S/C22H24FN5O2/c23-17-3-1-16(2-4-17)18-5-6-19-21(25-18)22(28-9-13-30-14-10-28)26-20(24-19)15-27-7-11-29-12-8-27/h1-6H,7-15H2
InChIKeyJSTFVURDKYEFIQ-UHFFFAOYSA-N
XLogP2.50
TPSA63.61 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500409.47
LogP ≤ 52.50
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Related Compounds

4-[6-(4-fluorophenyl)-2-(2,2,2-trifluoroethoxymethyl)pyrido[3,2-d]pyrimidin-4-yl]morpholine
CID 110172241
N-[[6-(4-fluorophenyl)-4-morpholin-4-ylpyrido[3,2-d]pyrimidin-2-yl]methyl]-3-methylbutan-1-amine
CID 110172215
4-[[4-(4-fluorophenyl)phenyl]methyl]morpholine
CID 11161574
4-[2-(chloromethyl)-6-(4-fluorophenyl)pyrido[3,2-d]pyrimidin-4-yl]-N-[(2-chlorophenyl)methyl]piperazine-1-carbothioamide
CID 87621235
6-(4-morpholin-4-ylphenyl)-4-propylpyrido[3,2-d]pyrimidin-2-amine
CID 68913237
1-[4-[2-amino-6-(4-fluorophenyl)pyrido[3,2-d]pyrimidin-4-yl]piperazin-1-yl]-2-(4-fluorophenoxy)ethanone
CID 46175008
4-[2-chloro-6-(piperidin-1-ylmethyl)pyrido[3,2-d]pyrimidin-4-yl]morpholine
CID 150507333
4-[[4-[[5-(4-fluorophenyl)-1,3-oxazol-2-yl]methylsulfanyl]quinazolin-2-yl]methyl]morpholine
CID 16581426
3-(4-fluorophenyl)-5-morpholin-4-ylpyrimido[5,4-e][1,2,4]triazin-7-amine
CID 46846653
[6-(4-fluorophenyl)-2-morpholin-4-ylpyrimidin-4-yl]methanamine;hydrochloride
CID 82022744
4-[6-(4-fluorophenyl)-3-methyl-1,2,4-triazin-5-yl]morpholine
CID 6405048
N-[2-[4-[2-amino-6-(4-fluorophenyl)pyrido[3,2-d]pyrimidin-4-yl]piperazin-1-yl]-2-oxoethyl]-4-methylbenzamide
CID 71134539

Frequently Asked Questions

What is the IUPAC name of 4-[6-(4-fluorophenyl)-2-(morpholin-4-ylmethyl)pyrido[3,2-d]pyrimidin-4-yl]morpholine?
The IUPAC name of 4-[6-(4-fluorophenyl)-2-(morpholin-4-ylmethyl)pyrido[3,2-d]pyrimidin-4-yl]morpholine (CID 110172246) is 4-[6-(4-fluorophenyl)-2-(morpholin-4-ylmethyl)pyrido[3,2-d]pyrimidin-4-yl]morpholine.
What is the SMILES notation for 4-[6-(4-fluorophenyl)-2-(morpholin-4-ylmethyl)pyrido[3,2-d]pyrimidin-4-yl]morpholine?
The canonical SMILES for 4-[6-(4-fluorophenyl)-2-(morpholin-4-ylmethyl)pyrido[3,2-d]pyrimidin-4-yl]morpholine is Fc1ccc(-c2ccc3nc(CN4CCOCC4)nc(N4CCOCC4)c3n2)cc1.
What is the InChIKey of 4-[6-(4-fluorophenyl)-2-(morpholin-4-ylmethyl)pyrido[3,2-d]pyrimidin-4-yl]morpholine?
The InChIKey is JSTFVURDKYEFIQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H24FN5O2/c23-17-3-1-16(2-4-17)18-5-6-19-21(25-18)22(28-9-13-30-14-10-28)26-20(24-19)15-27-7-11-29-12-8-27/h1-6H,7-15H2.
What are the key properties of 4-[6-(4-fluorophenyl)-2-(morpholin-4-ylmethyl)pyrido[3,2-d]pyrimidin-4-yl]morpholine?
4-[6-(4-fluorophenyl)-2-(morpholin-4-ylmethyl)pyrido[3,2-d]pyrimidin-4-yl]morpholine has a molecular weight of 409.47 g/mol, XLogP of 2.50, 4 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[6-(4-fluorophenyl)-2-(morpholin-4-ylmethyl)pyrido[3,2-d]pyrimidin-4-yl]morpholine is sourced from PubChem (CID 110172246), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).