4-(4-methoxyphenyl)-6-morpholin-4-yl-2-phenylpyrimidine-5-carbonitrile

C22H20N4O2 — CID 3299494

IUPAC4-(4-methoxyphenyl)-6-morpholin-4-yl-2-phenylpyrimidine-5-carbonitrile
SMILESCOc1ccc(-c2nc(-c3ccccc3)nc(N3CCOCC3)c2C#N)cc1
InChIInChI=1S/C22H20N4O2/c1-27-18-9-7-16(8-10-18)20-19(15-23)22(26-11-13-28-14-12-26)25-21(24-20)17-5-3-2-4-6-17/h2-10H,11-14H2,1H3
InChIKeyLEQUDLVARYSTGX-UHFFFAOYSA-N
MW372.43 g/mol
LogP3.53
Rot. Bonds4

About 4-(4-methoxyphenyl)-6-morpholin-4-yl-2-phenylpyrimidine-5-carbonitrile

4-(4-methoxyphenyl)-6-morpholin-4-yl-2-phenylpyrimidine-5-carbonitrile (PubChem CID 3299494) has the molecular formula C22H20N4O2 and a molecular weight of 372.43 g/mol. Its IUPAC name is 4-(4-methoxyphenyl)-6-morpholin-4-yl-2-phenylpyrimidine-5-carbonitrile.

Molecular Properties

Compound Name4-(4-methoxyphenyl)-6-morpholin-4-yl-2-phenylpyrimidine-5-carbonitrile
PubChem CID3299494
Molecular FormulaC22H20N4O2
Molecular Weight372.43 g/mol
Exact Mass372.16
IUPAC Name4-(4-methoxyphenyl)-6-morpholin-4-yl-2-phenylpyrimidine-5-carbonitrile
SMILESCOc1ccc(-c2nc(-c3ccccc3)nc(N3CCOCC3)c2C#N)cc1
InChIInChI=1S/C22H20N4O2/c1-27-18-9-7-16(8-10-18)20-19(15-23)22(26-11-13-28-14-12-26)25-21(24-20)17-5-3-2-4-6-17/h2-10H,11-14H2,1H3
InChIKeyLEQUDLVARYSTGX-UHFFFAOYSA-N
XLogP3.53
TPSA71.27 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500372.43
LogP ≤ 53.53
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 4-(4-methoxyphenyl)-6-morpholin-4-yl-2-phenylpyrimidine-5-carbonitrile?
The IUPAC name of 4-(4-methoxyphenyl)-6-morpholin-4-yl-2-phenylpyrimidine-5-carbonitrile (CID 3299494) is 4-(4-methoxyphenyl)-6-morpholin-4-yl-2-phenylpyrimidine-5-carbonitrile.
What is the SMILES notation for 4-(4-methoxyphenyl)-6-morpholin-4-yl-2-phenylpyrimidine-5-carbonitrile?
The canonical SMILES for 4-(4-methoxyphenyl)-6-morpholin-4-yl-2-phenylpyrimidine-5-carbonitrile is COc1ccc(-c2nc(-c3ccccc3)nc(N3CCOCC3)c2C#N)cc1.
What is the InChIKey of 4-(4-methoxyphenyl)-6-morpholin-4-yl-2-phenylpyrimidine-5-carbonitrile?
The InChIKey is LEQUDLVARYSTGX-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H20N4O2/c1-27-18-9-7-16(8-10-18)20-19(15-23)22(26-11-13-28-14-12-26)25-21(24-20)17-5-3-2-4-6-17/h2-10H,11-14H2,1H3.
What are the key properties of 4-(4-methoxyphenyl)-6-morpholin-4-yl-2-phenylpyrimidine-5-carbonitrile?
4-(4-methoxyphenyl)-6-morpholin-4-yl-2-phenylpyrimidine-5-carbonitrile has a molecular weight of 372.43 g/mol, XLogP of 3.53, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-methoxyphenyl)-6-morpholin-4-yl-2-phenylpyrimidine-5-carbonitrile is sourced from PubChem (CID 3299494), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).