2-(3,4-dichlorophenyl)-4-(2-methyl-6-pyrazol-1-ylpyrimidin-4-yl)morpholine

C18H17Cl2N5O — CID 56874837

IUPAC2-(3,4-dichlorophenyl)-4-(2-methyl-6-pyrazol-1-ylpyrimidin-4-yl)morpholine
SMILESCc1nc(N2CCOC(c3ccc(Cl)c(Cl)c3)C2)cc(-n2cccn2)n1
InChIInChI=1S/C18H17Cl2N5O/c1-12-22-17(10-18(23-12)25-6-2-5-21-25)24-7-8-26-16(11-24)13-3-4-14(19)15(20)9-13/h2-6,9-10,16H,7-8,11H2,1H3
InChIKeyBWWOGYCQXKLTIQ-UHFFFAOYSA-N
MW390.27 g/mol
LogP3.86
Rot. Bonds3

About 2-(3,4-dichlorophenyl)-4-(2-methyl-6-pyrazol-1-ylpyrimidin-4-yl)morpholine

2-(3,4-dichlorophenyl)-4-(2-methyl-6-pyrazol-1-ylpyrimidin-4-yl)morpholine (PubChem CID 56874837) has the molecular formula C18H17Cl2N5O and a molecular weight of 390.27 g/mol. Its IUPAC name is 2-(3,4-dichlorophenyl)-4-(2-methyl-6-pyrazol-1-ylpyrimidin-4-yl)morpholine.

Molecular Properties

Compound Name2-(3,4-dichlorophenyl)-4-(2-methyl-6-pyrazol-1-ylpyrimidin-4-yl)morpholine
PubChem CID56874837
Molecular FormulaC18H17Cl2N5O
Molecular Weight390.27 g/mol
Exact Mass389.08
IUPAC Name2-(3,4-dichlorophenyl)-4-(2-methyl-6-pyrazol-1-ylpyrimidin-4-yl)morpholine
SMILESCc1nc(N2CCOC(c3ccc(Cl)c(Cl)c3)C2)cc(-n2cccn2)n1
InChIInChI=1S/C18H17Cl2N5O/c1-12-22-17(10-18(23-12)25-6-2-5-21-25)24-7-8-26-16(11-24)13-3-4-14(19)15(20)9-13/h2-6,9-10,16H,7-8,11H2,1H3
InChIKeyBWWOGYCQXKLTIQ-UHFFFAOYSA-N
XLogP3.86
TPSA56.07 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500390.27
LogP ≤ 53.86
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

4-[(2S)-2-(3,4-dichlorophenyl)morpholin-4-yl]-6-methylpyrimidin-2-amine
CID 95175522
4-pyrazol-1-yl-6-[2-(1H-pyrazol-4-yl)morpholin-4-yl]pyrimidin-2-amine
CID 166354821
2-(3,4-dichlorophenyl)-4-(4-methylpyrimidin-2-yl)morpholine
CID 56880782
2-(3,4-dichlorophenyl)-4-(2,5-dimethyl-1,2,4-triazol-3-yl)morpholine
CID 135106958
(2R)-2-(3,4-dichlorophenyl)-4-(6-morpholin-4-ylpyrimidin-4-yl)morpholine
CID 95551993
2-(4-chlorophenyl)-4-(2-methyl-6-propan-2-ylpyrimidin-4-yl)morpholine
CID 56877952
(2R)-2-(3,4-dichlorophenyl)-4-(6-methoxypyrimidin-4-yl)morpholine
CID 95551468
2-(3,4-dichlorophenyl)-4-(3-methoxypyrazin-2-yl)morpholine
CID 56871103
2-(3-chloro-4-fluorophenyl)-4-(6-methylpyrazin-2-yl)morpholine
CID 133469954
4-[4-(2,5-dichlorophenyl)sulfonylpiperazin-1-yl]-2-methyl-6-pyrazol-1-ylpyrimidine
CID 121072422
(2R)-2-(3,4-dichlorophenyl)-4-(3-fluoro-4-pyridinyl)morpholine
CID 95562855
2-(3,4-dichlorophenyl)-4-(5-methoxypyrimidin-2-yl)morpholine
CID 56868196

Frequently Asked Questions

What is the IUPAC name of 2-(3,4-dichlorophenyl)-4-(2-methyl-6-pyrazol-1-ylpyrimidin-4-yl)morpholine?
The IUPAC name of 2-(3,4-dichlorophenyl)-4-(2-methyl-6-pyrazol-1-ylpyrimidin-4-yl)morpholine (CID 56874837) is 2-(3,4-dichlorophenyl)-4-(2-methyl-6-pyrazol-1-ylpyrimidin-4-yl)morpholine.
What is the SMILES notation for 2-(3,4-dichlorophenyl)-4-(2-methyl-6-pyrazol-1-ylpyrimidin-4-yl)morpholine?
The canonical SMILES for 2-(3,4-dichlorophenyl)-4-(2-methyl-6-pyrazol-1-ylpyrimidin-4-yl)morpholine is Cc1nc(N2CCOC(c3ccc(Cl)c(Cl)c3)C2)cc(-n2cccn2)n1.
What is the InChIKey of 2-(3,4-dichlorophenyl)-4-(2-methyl-6-pyrazol-1-ylpyrimidin-4-yl)morpholine?
The InChIKey is BWWOGYCQXKLTIQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H17Cl2N5O/c1-12-22-17(10-18(23-12)25-6-2-5-21-25)24-7-8-26-16(11-24)13-3-4-14(19)15(20)9-13/h2-6,9-10,16H,7-8,11H2,1H3.
What are the key properties of 2-(3,4-dichlorophenyl)-4-(2-methyl-6-pyrazol-1-ylpyrimidin-4-yl)morpholine?
2-(3,4-dichlorophenyl)-4-(2-methyl-6-pyrazol-1-ylpyrimidin-4-yl)morpholine has a molecular weight of 390.27 g/mol, XLogP of 3.86, 3 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3,4-dichlorophenyl)-4-(2-methyl-6-pyrazol-1-ylpyrimidin-4-yl)morpholine is sourced from PubChem (CID 56874837), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).