2-(2-chlorophenyl)-4-(6-ethyl-2-pyridin-2-ylpyrimidin-4-yl)morpholine

C21H21ClN4O — CID 133294593

IUPAC2-(2-chlorophenyl)-4-(6-ethyl-2-pyridin-2-ylpyrimidin-4-yl)morpholine
SMILESCCc1cc(N2CCOC(c3ccccc3Cl)C2)nc(-c2ccccn2)n1
InChIInChI=1S/C21H21ClN4O/c1-2-15-13-20(25-21(24-15)18-9-5-6-10-23-18)26-11-12-27-19(14-26)16-7-3-4-8-17(16)22/h3-10,13,19H,2,11-12,14H2,1H3
InChIKeyVAMQVWBMDQSBKA-UHFFFAOYSA-N
MW380.88 g/mol
LogP4.33
Rot. Bonds4

About 2-(2-chlorophenyl)-4-(6-ethyl-2-pyridin-2-ylpyrimidin-4-yl)morpholine

2-(2-chlorophenyl)-4-(6-ethyl-2-pyridin-2-ylpyrimidin-4-yl)morpholine (PubChem CID 133294593) has the molecular formula C21H21ClN4O and a molecular weight of 380.88 g/mol. Its IUPAC name is 2-(2-chlorophenyl)-4-(6-ethyl-2-pyridin-2-ylpyrimidin-4-yl)morpholine.

Molecular Properties

Compound Name2-(2-chlorophenyl)-4-(6-ethyl-2-pyridin-2-ylpyrimidin-4-yl)morpholine
PubChem CID133294593
Molecular FormulaC21H21ClN4O
Molecular Weight380.88 g/mol
Exact Mass380.14
IUPAC Name2-(2-chlorophenyl)-4-(6-ethyl-2-pyridin-2-ylpyrimidin-4-yl)morpholine
SMILESCCc1cc(N2CCOC(c3ccccc3Cl)C2)nc(-c2ccccn2)n1
InChIInChI=1S/C21H21ClN4O/c1-2-15-13-20(25-21(24-15)18-9-5-6-10-23-18)26-11-12-27-19(14-26)16-7-3-4-8-17(16)22/h3-10,13,19H,2,11-12,14H2,1H3
InChIKeyVAMQVWBMDQSBKA-UHFFFAOYSA-N
XLogP4.33
TPSA51.14 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500380.88
LogP ≤ 54.33
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

6-[(Benzyloxy)methyl]-5-(4-{[(2-chloropyridin-4-yl)methyl]amino}phenyl)pyrimidine-2,4-diamine
CID 11339816
2-[(2S)-2-(2-chloro-6-fluorophenyl)morpholin-4-yl]-3-methyl-6-pyrimidin-4-ylpyrimidin-4-one
CID 68882695
5-(3-Chloro-phenyl)-6-[(4-cyano-phenyl)-(3-methyl-3H-imidazol-4-yl)-methoxymethyl]-2-(4-methyl-piperazin-1-yl)-nicotinonitrile
CID 44286345
(S)-N-(2-chlorophenyl)-5-((2-phenylmorpholino)methyl)pyridin-2-amine
CID 24954806
(S)-N-(3-chlorophenyl)-5-((2-phenylmorpholino)methyl)pyridin-2-amine
CID 24955167
(S)-N-(4-chlorophenyl)-5-((2-phenylmorpholino)methyl)pyridin-2-amine
CID 24955526
US12325701, Example 17.
CID 168678965
US12325701, Example 134.
CID 168679081
5-N-[(2-chlorophenyl)methyl]-5-N-methyl-6-[2-(6-morpholin-4-yl-3-pyridinyl)ethynyl]pyrimidine-4,5-diamine
CID 10365652
5-[3-(2-Chloro-phenyl)-propyl]-6-(6-morpholin-4-yl-pyridin-3-ylethynyl)-pyrimidin-4-ylamine
CID 10938974
5-{[(2-Chloro-benzyl)-methyl-amino]-methyl}-6-(6-morpholin-4-yl-pyridin-3-ylethynyl)-pyrimidin-4-ylamine
CID 10939284
5-N-[(3-chlorophenyl)methyl]-5-N-methyl-6-[2-(6-morpholin-4-yl-3-pyridinyl)ethynyl]pyrimidine-4,5-diamine
CID 11112897

Frequently Asked Questions

What is the IUPAC name of 2-(2-chlorophenyl)-4-(6-ethyl-2-pyridin-2-ylpyrimidin-4-yl)morpholine?
The IUPAC name of 2-(2-chlorophenyl)-4-(6-ethyl-2-pyridin-2-ylpyrimidin-4-yl)morpholine (CID 133294593) is 2-(2-chlorophenyl)-4-(6-ethyl-2-pyridin-2-ylpyrimidin-4-yl)morpholine.
What is the SMILES notation for 2-(2-chlorophenyl)-4-(6-ethyl-2-pyridin-2-ylpyrimidin-4-yl)morpholine?
The canonical SMILES for 2-(2-chlorophenyl)-4-(6-ethyl-2-pyridin-2-ylpyrimidin-4-yl)morpholine is CCc1cc(N2CCOC(c3ccccc3Cl)C2)nc(-c2ccccn2)n1.
What is the InChIKey of 2-(2-chlorophenyl)-4-(6-ethyl-2-pyridin-2-ylpyrimidin-4-yl)morpholine?
The InChIKey is VAMQVWBMDQSBKA-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H21ClN4O/c1-2-15-13-20(25-21(24-15)18-9-5-6-10-23-18)26-11-12-27-19(14-26)16-7-3-4-8-17(16)22/h3-10,13,19H,2,11-12,14H2,1H3.
What are the key properties of 2-(2-chlorophenyl)-4-(6-ethyl-2-pyridin-2-ylpyrimidin-4-yl)morpholine?
2-(2-chlorophenyl)-4-(6-ethyl-2-pyridin-2-ylpyrimidin-4-yl)morpholine has a molecular weight of 380.88 g/mol, XLogP of 4.33, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-chlorophenyl)-4-(6-ethyl-2-pyridin-2-ylpyrimidin-4-yl)morpholine is sourced from PubChem (CID 133294593), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).