4-[2-[4-[1-(4-methoxyphenyl)-3-methylpyrazol-4-yl]pyrimidin-2-yl]ethyl]morpholine

C21H25N5O2 — CID 66502827

IUPAC4-[2-[4-[1-(4-methoxyphenyl)-3-methylpyrazol-4-yl]pyrimidin-2-yl]ethyl]morpholine
SMILESCOc1ccc(-n2cc(-c3ccnc(CCN4CCOCC4)n3)c(C)n2)cc1
InChIInChI=1S/C21H25N5O2/c1-16-19(15-26(24-16)17-3-5-18(27-2)6-4-17)20-7-9-22-21(23-20)8-10-25-11-13-28-14-12-25/h3-7,9,15H,8,10-14H2,1-2H3
InChIKeyINDJZFPCQWEMEE-UHFFFAOYSA-N
MW379.46 g/mol
LogP2.52
Rot. Bonds6

About 4-[2-[4-[1-(4-methoxyphenyl)-3-methylpyrazol-4-yl]pyrimidin-2-yl]ethyl]morpholine

4-[2-[4-[1-(4-methoxyphenyl)-3-methylpyrazol-4-yl]pyrimidin-2-yl]ethyl]morpholine (PubChem CID 66502827) has the molecular formula C21H25N5O2 and a molecular weight of 379.46 g/mol. Its IUPAC name is 4-[2-[4-[1-(4-methoxyphenyl)-3-methylpyrazol-4-yl]pyrimidin-2-yl]ethyl]morpholine.

Molecular Properties

Compound Name4-[2-[4-[1-(4-methoxyphenyl)-3-methylpyrazol-4-yl]pyrimidin-2-yl]ethyl]morpholine
PubChem CID66502827
Molecular FormulaC21H25N5O2
Molecular Weight379.46 g/mol
Exact Mass379.20
IUPAC Name4-[2-[4-[1-(4-methoxyphenyl)-3-methylpyrazol-4-yl]pyrimidin-2-yl]ethyl]morpholine
SMILESCOc1ccc(-n2cc(-c3ccnc(CCN4CCOCC4)n3)c(C)n2)cc1
InChIInChI=1S/C21H25N5O2/c1-16-19(15-26(24-16)17-3-5-18(27-2)6-4-17)20-7-9-22-21(23-20)8-10-25-11-13-28-14-12-25/h3-7,9,15H,8,10-14H2,1-2H3
InChIKeyINDJZFPCQWEMEE-UHFFFAOYSA-N
XLogP2.52
TPSA65.30 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500379.46
LogP ≤ 52.52
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 4-[2-[4-[1-(4-methoxyphenyl)-3-methylpyrazol-4-yl]pyrimidin-2-yl]ethyl]morpholine?
The IUPAC name of 4-[2-[4-[1-(4-methoxyphenyl)-3-methylpyrazol-4-yl]pyrimidin-2-yl]ethyl]morpholine (CID 66502827) is 4-[2-[4-[1-(4-methoxyphenyl)-3-methylpyrazol-4-yl]pyrimidin-2-yl]ethyl]morpholine.
What is the SMILES notation for 4-[2-[4-[1-(4-methoxyphenyl)-3-methylpyrazol-4-yl]pyrimidin-2-yl]ethyl]morpholine?
The canonical SMILES for 4-[2-[4-[1-(4-methoxyphenyl)-3-methylpyrazol-4-yl]pyrimidin-2-yl]ethyl]morpholine is COc1ccc(-n2cc(-c3ccnc(CCN4CCOCC4)n3)c(C)n2)cc1.
What is the InChIKey of 4-[2-[4-[1-(4-methoxyphenyl)-3-methylpyrazol-4-yl]pyrimidin-2-yl]ethyl]morpholine?
The InChIKey is INDJZFPCQWEMEE-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H25N5O2/c1-16-19(15-26(24-16)17-3-5-18(27-2)6-4-17)20-7-9-22-21(23-20)8-10-25-11-13-28-14-12-25/h3-7,9,15H,8,10-14H2,1-2H3.
What are the key properties of 4-[2-[4-[1-(4-methoxyphenyl)-3-methylpyrazol-4-yl]pyrimidin-2-yl]ethyl]morpholine?
4-[2-[4-[1-(4-methoxyphenyl)-3-methylpyrazol-4-yl]pyrimidin-2-yl]ethyl]morpholine has a molecular weight of 379.46 g/mol, XLogP of 2.52, 6 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2-[4-[1-(4-methoxyphenyl)-3-methylpyrazol-4-yl]pyrimidin-2-yl]ethyl]morpholine is sourced from PubChem (CID 66502827), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).