(3,5-dimethoxyphenyl)-[4-(6-methyl-2-morpholin-4-ylpyrimidin-4-yl)piperazin-1-yl]methanone

C22H29N5O4 — CID 56699571

IUPAC(3,5-dimethoxyphenyl)-[4-(6-methyl-2-morpholin-4-ylpyrimidin-4-yl)piperazin-1-yl]methanone
SMILESCOc1cc(OC)cc(C(=O)N2CCN(c3cc(C)nc(N4CCOCC4)n3)CC2)c1
InChIInChI=1S/C22H29N5O4/c1-16-12-20(24-22(23-16)27-8-10-31-11-9-27)25-4-6-26(7-5-25)21(28)17-13-18(29-2)15-19(14-17)30-3/h12-15H,4-11H2,1-3H3
InChIKeyCWWIFGXRNWHFIW-UHFFFAOYSA-N
MW427.51 g/mol
LogP1.60
Rot. Bonds5

About (3,5-dimethoxyphenyl)-[4-(6-methyl-2-morpholin-4-ylpyrimidin-4-yl)piperazin-1-yl]methanone

(3,5-dimethoxyphenyl)-[4-(6-methyl-2-morpholin-4-ylpyrimidin-4-yl)piperazin-1-yl]methanone (PubChem CID 56699571) has the molecular formula C22H29N5O4 and a molecular weight of 427.51 g/mol. Its IUPAC name is (3,5-dimethoxyphenyl)-[4-(6-methyl-2-morpholin-4-ylpyrimidin-4-yl)piperazin-1-yl]methanone.

Molecular Properties

Compound Name(3,5-dimethoxyphenyl)-[4-(6-methyl-2-morpholin-4-ylpyrimidin-4-yl)piperazin-1-yl]methanone
PubChem CID56699571
Molecular FormulaC22H29N5O4
Molecular Weight427.51 g/mol
Exact Mass427.22
IUPAC Name(3,5-dimethoxyphenyl)-[4-(6-methyl-2-morpholin-4-ylpyrimidin-4-yl)piperazin-1-yl]methanone
SMILESCOc1cc(OC)cc(C(=O)N2CCN(c3cc(C)nc(N4CCOCC4)n3)CC2)c1
InChIInChI=1S/C22H29N5O4/c1-16-12-20(24-22(23-16)27-8-10-31-11-9-27)25-4-6-26(7-5-25)21(28)17-13-18(29-2)15-19(14-17)30-3/h12-15H,4-11H2,1-3H3
InChIKeyCWWIFGXRNWHFIW-UHFFFAOYSA-N
XLogP1.60
TPSA80.26 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds5
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500427.51
LogP ≤ 51.60
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of (3,5-dimethoxyphenyl)-[4-(6-methyl-2-morpholin-4-ylpyrimidin-4-yl)piperazin-1-yl]methanone?
The IUPAC name of (3,5-dimethoxyphenyl)-[4-(6-methyl-2-morpholin-4-ylpyrimidin-4-yl)piperazin-1-yl]methanone (CID 56699571) is (3,5-dimethoxyphenyl)-[4-(6-methyl-2-morpholin-4-ylpyrimidin-4-yl)piperazin-1-yl]methanone.
What is the SMILES notation for (3,5-dimethoxyphenyl)-[4-(6-methyl-2-morpholin-4-ylpyrimidin-4-yl)piperazin-1-yl]methanone?
The canonical SMILES for (3,5-dimethoxyphenyl)-[4-(6-methyl-2-morpholin-4-ylpyrimidin-4-yl)piperazin-1-yl]methanone is COc1cc(OC)cc(C(=O)N2CCN(c3cc(C)nc(N4CCOCC4)n3)CC2)c1.
What is the InChIKey of (3,5-dimethoxyphenyl)-[4-(6-methyl-2-morpholin-4-ylpyrimidin-4-yl)piperazin-1-yl]methanone?
The InChIKey is CWWIFGXRNWHFIW-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H29N5O4/c1-16-12-20(24-22(23-16)27-8-10-31-11-9-27)25-4-6-26(7-5-25)21(28)17-13-18(29-2)15-19(14-17)30-3/h12-15H,4-11H2,1-3H3.
What are the key properties of (3,5-dimethoxyphenyl)-[4-(6-methyl-2-morpholin-4-ylpyrimidin-4-yl)piperazin-1-yl]methanone?
(3,5-dimethoxyphenyl)-[4-(6-methyl-2-morpholin-4-ylpyrimidin-4-yl)piperazin-1-yl]methanone has a molecular weight of 427.51 g/mol, XLogP of 1.60, 5 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for (3,5-dimethoxyphenyl)-[4-(6-methyl-2-morpholin-4-ylpyrimidin-4-yl)piperazin-1-yl]methanone is sourced from PubChem (CID 56699571), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).