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

C21H27N5O3 — CID 46267905

IUPAC(3-methoxyphenyl)-[4-(2-methyl-6-morpholin-4-ylpyrimidin-4-yl)piperazin-1-yl]methanone
SMILESCOc1cccc(C(=O)N2CCN(c3cc(N4CCOCC4)nc(C)n3)CC2)c1
InChIInChI=1S/C21H27N5O3/c1-16-22-19(15-20(23-16)25-10-12-29-13-11-25)24-6-8-26(9-7-24)21(27)17-4-3-5-18(14-17)28-2/h3-5,14-15H,6-13H2,1-2H3
InChIKeyPAWOCRMBMLAFSP-UHFFFAOYSA-N
MW397.48 g/mol
LogP1.59
Rot. Bonds4

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

(3-methoxyphenyl)-[4-(2-methyl-6-morpholin-4-ylpyrimidin-4-yl)piperazin-1-yl]methanone (PubChem CID 46267905) has the molecular formula C21H27N5O3 and a molecular weight of 397.48 g/mol. Its IUPAC name is (3-methoxyphenyl)-[4-(2-methyl-6-morpholin-4-ylpyrimidin-4-yl)piperazin-1-yl]methanone.

Molecular Properties

Compound Name(3-methoxyphenyl)-[4-(2-methyl-6-morpholin-4-ylpyrimidin-4-yl)piperazin-1-yl]methanone
PubChem CID46267905
Molecular FormulaC21H27N5O3
Molecular Weight397.48 g/mol
Exact Mass397.21
IUPAC Name(3-methoxyphenyl)-[4-(2-methyl-6-morpholin-4-ylpyrimidin-4-yl)piperazin-1-yl]methanone
SMILESCOc1cccc(C(=O)N2CCN(c3cc(N4CCOCC4)nc(C)n3)CC2)c1
InChIInChI=1S/C21H27N5O3/c1-16-22-19(15-20(23-16)25-10-12-29-13-11-25)24-6-8-26(9-7-24)21(27)17-4-3-5-18(14-17)28-2/h3-5,14-15H,6-13H2,1-2H3
InChIKeyPAWOCRMBMLAFSP-UHFFFAOYSA-N
XLogP1.59
TPSA71.03 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500397.48
LogP ≤ 51.59
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of (3-methoxyphenyl)-[4-(2-methyl-6-morpholin-4-ylpyrimidin-4-yl)piperazin-1-yl]methanone?
The IUPAC name of (3-methoxyphenyl)-[4-(2-methyl-6-morpholin-4-ylpyrimidin-4-yl)piperazin-1-yl]methanone (CID 46267905) is (3-methoxyphenyl)-[4-(2-methyl-6-morpholin-4-ylpyrimidin-4-yl)piperazin-1-yl]methanone.
What is the SMILES notation for (3-methoxyphenyl)-[4-(2-methyl-6-morpholin-4-ylpyrimidin-4-yl)piperazin-1-yl]methanone?
The canonical SMILES for (3-methoxyphenyl)-[4-(2-methyl-6-morpholin-4-ylpyrimidin-4-yl)piperazin-1-yl]methanone is COc1cccc(C(=O)N2CCN(c3cc(N4CCOCC4)nc(C)n3)CC2)c1.
What is the InChIKey of (3-methoxyphenyl)-[4-(2-methyl-6-morpholin-4-ylpyrimidin-4-yl)piperazin-1-yl]methanone?
The InChIKey is PAWOCRMBMLAFSP-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H27N5O3/c1-16-22-19(15-20(23-16)25-10-12-29-13-11-25)24-6-8-26(9-7-24)21(27)17-4-3-5-18(14-17)28-2/h3-5,14-15H,6-13H2,1-2H3.
What are the key properties of (3-methoxyphenyl)-[4-(2-methyl-6-morpholin-4-ylpyrimidin-4-yl)piperazin-1-yl]methanone?
(3-methoxyphenyl)-[4-(2-methyl-6-morpholin-4-ylpyrimidin-4-yl)piperazin-1-yl]methanone has a molecular weight of 397.48 g/mol, XLogP of 1.59, 4 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for (3-methoxyphenyl)-[4-(2-methyl-6-morpholin-4-ylpyrimidin-4-yl)piperazin-1-yl]methanone is sourced from PubChem (CID 46267905), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).