4-[6-(4-methylphenoxy)-2-phenylpyrimidin-4-yl]morpholine

C21H21N3O2 — CID 1484654

IUPAC4-[6-(4-methylphenoxy)-2-phenylpyrimidin-4-yl]morpholine
SMILESCc1ccc(Oc2cc(N3CCOCC3)nc(-c3ccccc3)n2)cc1
InChIInChI=1S/C21H21N3O2/c1-16-7-9-18(10-8-16)26-20-15-19(24-11-13-25-14-12-24)22-21(23-20)17-5-3-2-4-6-17/h2-10,15H,11-14H2,1H3
InChIKeyHVRYCWAARFUFCN-UHFFFAOYSA-N
MW347.42 g/mol
LogP4.08
Rot. Bonds4

About 4-[6-(4-methylphenoxy)-2-phenylpyrimidin-4-yl]morpholine

4-[6-(4-methylphenoxy)-2-phenylpyrimidin-4-yl]morpholine (PubChem CID 1484654) has the molecular formula C21H21N3O2 and a molecular weight of 347.42 g/mol. Its IUPAC name is 4-[6-(4-methylphenoxy)-2-phenylpyrimidin-4-yl]morpholine.

Molecular Properties

Compound Name4-[6-(4-methylphenoxy)-2-phenylpyrimidin-4-yl]morpholine
PubChem CID1484654
Molecular FormulaC21H21N3O2
Molecular Weight347.42 g/mol
Exact Mass347.16
IUPAC Name4-[6-(4-methylphenoxy)-2-phenylpyrimidin-4-yl]morpholine
SMILESCc1ccc(Oc2cc(N3CCOCC3)nc(-c3ccccc3)n2)cc1
InChIInChI=1S/C21H21N3O2/c1-16-7-9-18(10-8-16)26-20-15-19(24-11-13-25-14-12-24)22-21(23-20)17-5-3-2-4-6-17/h2-10,15H,11-14H2,1H3
InChIKeyHVRYCWAARFUFCN-UHFFFAOYSA-N
XLogP4.08
TPSA47.48 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500347.42
LogP ≤ 54.08
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

Enecadin
CID 6433114
2,4-Diphenyl-6-(3-pyrrolidin-1-ylpropoxy)pyrimidine
CID 118723352
4-(Piperidin-1-yl)-2-(4-propoxyphenyl)quinazoline
CID 1590578
4-(4-Butoxybenzylidenehydrazino)-2-methyl-6-morpholinopyrimidine
CID 9589764
4-[2-(2-Methoxyphenyl)quinazolin-4-yl]morpholine
CID 3233117
N,N-diethyl-2-[4-[2-[5-(4-methoxyphenyl)pyrimidin-2-yl]ethynyl]phenoxy]ethanamine
CID 10408758
2-methoxy-N-[2-(4-methoxyphenyl)ethyl]-6-(4-morpholin-4-ylphenyl)pyrimidin-4-amine
CID 11502665
4-Methyl-2-phenyl-6-(3-piperidin-1-ylpropoxy)pyrimidine
CID 21760780
N*2*-(2-Phenoxy-ethyl)-N*4*-((S)-1-phenyl-ethyl)-pyrimidine-2,4-diamine
CID 44393161
[2-Methoxy-6-(2-methoxy-benzyloxy)-pyrimidin-4-yl]-[2-(4-methoxy-phenyl)-ethyl]-amine
CID 53323153
4-Methyl-6-[3-(4-methylpiperidin-1-yl)propoxy]-2-phenylpyrimidine
CID 118722990
4-[3-(3,5-Dimethylpiperidin-1-yl)propoxy]-6-methyl-2-phenylpyrimidine
CID 118722991

Frequently Asked Questions

What is the IUPAC name of 4-[6-(4-methylphenoxy)-2-phenylpyrimidin-4-yl]morpholine?
The IUPAC name of 4-[6-(4-methylphenoxy)-2-phenylpyrimidin-4-yl]morpholine (CID 1484654) is 4-[6-(4-methylphenoxy)-2-phenylpyrimidin-4-yl]morpholine.
What is the SMILES notation for 4-[6-(4-methylphenoxy)-2-phenylpyrimidin-4-yl]morpholine?
The canonical SMILES for 4-[6-(4-methylphenoxy)-2-phenylpyrimidin-4-yl]morpholine is Cc1ccc(Oc2cc(N3CCOCC3)nc(-c3ccccc3)n2)cc1.
What is the InChIKey of 4-[6-(4-methylphenoxy)-2-phenylpyrimidin-4-yl]morpholine?
The InChIKey is HVRYCWAARFUFCN-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H21N3O2/c1-16-7-9-18(10-8-16)26-20-15-19(24-11-13-25-14-12-24)22-21(23-20)17-5-3-2-4-6-17/h2-10,15H,11-14H2,1H3.
What are the key properties of 4-[6-(4-methylphenoxy)-2-phenylpyrimidin-4-yl]morpholine?
4-[6-(4-methylphenoxy)-2-phenylpyrimidin-4-yl]morpholine has a molecular weight of 347.42 g/mol, XLogP of 4.08, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[6-(4-methylphenoxy)-2-phenylpyrimidin-4-yl]morpholine is sourced from PubChem (CID 1484654), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).