(2,3-dimethoxyphenyl)-[4-[6-(dimethylamino)-2-pyrazin-2-ylpyrimidin-4-yl]piperidin-1-yl]methanone

C24H28N6O3 — CID 92607074

IUPAC(2,3-dimethoxyphenyl)-[4-[6-(dimethylamino)-2-pyrazin-2-ylpyrimidin-4-yl]piperidin-1-yl]methanone
SMILESCOc1cccc(C(=O)N2CCC(c3cc(N(C)C)nc(-c4cnccn4)n3)CC2)c1OC
InChIInChI=1S/C24H28N6O3/c1-29(2)21-14-18(27-23(28-21)19-15-25-10-11-26-19)16-8-12-30(13-9-16)24(31)17-6-5-7-20(32-3)22(17)33-4/h5-7,10-11,14-16H,8-9,12-13H2,1-4H3
InChIKeyKNXXGGKSKMVQRG-UHFFFAOYSA-N
MW448.53 g/mol
LogP3.04
Rot. Bonds6

About (2,3-dimethoxyphenyl)-[4-[6-(dimethylamino)-2-pyrazin-2-ylpyrimidin-4-yl]piperidin-1-yl]methanone

(2,3-dimethoxyphenyl)-[4-[6-(dimethylamino)-2-pyrazin-2-ylpyrimidin-4-yl]piperidin-1-yl]methanone (PubChem CID 92607074) has the molecular formula C24H28N6O3 and a molecular weight of 448.53 g/mol. Its IUPAC name is (2,3-dimethoxyphenyl)-[4-[6-(dimethylamino)-2-pyrazin-2-ylpyrimidin-4-yl]piperidin-1-yl]methanone.

Molecular Properties

Compound Name(2,3-dimethoxyphenyl)-[4-[6-(dimethylamino)-2-pyrazin-2-ylpyrimidin-4-yl]piperidin-1-yl]methanone
PubChem CID92607074
Molecular FormulaC24H28N6O3
Molecular Weight448.53 g/mol
Exact Mass448.22
IUPAC Name(2,3-dimethoxyphenyl)-[4-[6-(dimethylamino)-2-pyrazin-2-ylpyrimidin-4-yl]piperidin-1-yl]methanone
SMILESCOc1cccc(C(=O)N2CCC(c3cc(N(C)C)nc(-c4cnccn4)n3)CC2)c1OC
InChIInChI=1S/C24H28N6O3/c1-29(2)21-14-18(27-23(28-21)19-15-25-10-11-26-19)16-8-12-30(13-9-16)24(31)17-6-5-7-20(32-3)22(17)33-4/h5-7,10-11,14-16H,8-9,12-13H2,1-4H3
InChIKeyKNXXGGKSKMVQRG-UHFFFAOYSA-N
XLogP3.04
TPSA93.57 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds6
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500448.53
LogP ≤ 53.04
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

Analyze (2,3-dimethoxyphenyl)-[4-[6-(dimethylamino)-2-pyrazin-2-ylpyrimidin-4-yl]piperidin-1-yl]methanone with MolForge

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Related Compounds

[4-[6-(dimethylamino)-2-pyrazin-2-ylpyrimidin-4-yl]piperidin-1-yl]-pyridin-3-ylmethanone
CID 92607076
[4-[6-(dimethylamino)-2-pyrazin-2-ylpyrimidin-4-yl]piperidin-1-yl]-(6-methoxy-3-pyridinyl)methanone
CID 92607070
1-[4-[6-(dimethylamino)-2-pyrazin-2-ylpyrimidin-4-yl]piperidin-1-yl]propan-1-one
CID 92585057
[4-[6-(dimethylamino)-2-pyrazin-2-ylpyrimidin-4-yl]piperidin-1-yl]-(5-methyl-1-benzofuran-2-yl)methanone
CID 92560275
[4-[6-(dimethylamino)-2-pyrazin-2-ylpyrimidin-4-yl]piperidin-1-yl]-(3-propan-2-yl-1,2-oxazol-5-yl)methanone
CID 92581068
(2,6-dimethoxyphenyl)-[3-[6-(dimethylamino)-2-pyridin-3-ylpyrimidin-4-yl]piperidin-1-yl]methanone
CID 110239961
[(3R)-3-[6-(dimethylamino)-2-pyrazin-2-ylpyrimidin-4-yl]piperidin-1-yl]-(4-methyl-1,3-oxazol-5-yl)methanone
CID 92597486
1-[4-[6-(dimethylamino)-2-pyridin-3-ylpyrimidin-4-yl]piperidin-1-yl]-2-(2-methoxy-5-methylphenyl)ethanone
CID 92556138
1-[4-[6-(dimethylamino)-2-pyridin-3-ylpyrimidin-4-yl]piperidin-1-yl]-2-phenoxyethanone
CID 92606944
1-[(3R)-3-[6-(dimethylamino)-2-pyrazin-2-ylpyrimidin-4-yl]piperidin-1-yl]-2-pyridin-3-ylethanone
CID 92607041
[4-(1,8-naphthyridin-2-yl)piperidin-1-yl]-(3,4,5-trimethoxyphenyl)methanone
CID 155942225
[4-(2,6-dimethoxyphenoxy)piperidin-1-yl]-pyridin-3-ylmethanone
CID 56796144

Frequently Asked Questions

What is the IUPAC name of (2,3-dimethoxyphenyl)-[4-[6-(dimethylamino)-2-pyrazin-2-ylpyrimidin-4-yl]piperidin-1-yl]methanone?
The IUPAC name of (2,3-dimethoxyphenyl)-[4-[6-(dimethylamino)-2-pyrazin-2-ylpyrimidin-4-yl]piperidin-1-yl]methanone (CID 92607074) is (2,3-dimethoxyphenyl)-[4-[6-(dimethylamino)-2-pyrazin-2-ylpyrimidin-4-yl]piperidin-1-yl]methanone.
What is the SMILES notation for (2,3-dimethoxyphenyl)-[4-[6-(dimethylamino)-2-pyrazin-2-ylpyrimidin-4-yl]piperidin-1-yl]methanone?
The canonical SMILES for (2,3-dimethoxyphenyl)-[4-[6-(dimethylamino)-2-pyrazin-2-ylpyrimidin-4-yl]piperidin-1-yl]methanone is COc1cccc(C(=O)N2CCC(c3cc(N(C)C)nc(-c4cnccn4)n3)CC2)c1OC.
What is the InChIKey of (2,3-dimethoxyphenyl)-[4-[6-(dimethylamino)-2-pyrazin-2-ylpyrimidin-4-yl]piperidin-1-yl]methanone?
The InChIKey is KNXXGGKSKMVQRG-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H28N6O3/c1-29(2)21-14-18(27-23(28-21)19-15-25-10-11-26-19)16-8-12-30(13-9-16)24(31)17-6-5-7-20(32-3)22(17)33-4/h5-7,10-11,14-16H,8-9,12-13H2,1-4H3.
What are the key properties of (2,3-dimethoxyphenyl)-[4-[6-(dimethylamino)-2-pyrazin-2-ylpyrimidin-4-yl]piperidin-1-yl]methanone?
(2,3-dimethoxyphenyl)-[4-[6-(dimethylamino)-2-pyrazin-2-ylpyrimidin-4-yl]piperidin-1-yl]methanone has a molecular weight of 448.53 g/mol, XLogP of 3.04, 6 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for (2,3-dimethoxyphenyl)-[4-[6-(dimethylamino)-2-pyrazin-2-ylpyrimidin-4-yl]piperidin-1-yl]methanone is sourced from PubChem (CID 92607074), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).