1-[4-[6-[(4-methyl-2-pyridinyl)amino]pyrimidin-4-yl]piperazin-1-yl]-2-pyrimidin-2-yloxyethanone

C20H22N8O2 — CID 122349377

IUPAC1-[4-[6-[(4-methyl-2-pyridinyl)amino]pyrimidin-4-yl]piperazin-1-yl]-2-pyrimidin-2-yloxyethanone
SMILESCc1ccnc(Nc2cc(N3CCN(C(=O)COc4ncccn4)CC3)ncn2)c1
InChIInChI=1S/C20H22N8O2/c1-15-3-6-21-16(11-15)26-17-12-18(25-14-24-17)27-7-9-28(10-8-27)19(29)13-30-20-22-4-2-5-23-20/h2-6,11-12,14H,7-10,13H2,1H3,(H,21,24,25,26)
InChIKeyBNMATQKLODPFRM-UHFFFAOYSA-N
MW406.45 g/mol
LogP1.44
Rot. Bonds6

About 1-[4-[6-[(4-methyl-2-pyridinyl)amino]pyrimidin-4-yl]piperazin-1-yl]-2-pyrimidin-2-yloxyethanone

1-[4-[6-[(4-methyl-2-pyridinyl)amino]pyrimidin-4-yl]piperazin-1-yl]-2-pyrimidin-2-yloxyethanone (PubChem CID 122349377) has the molecular formula C20H22N8O2 and a molecular weight of 406.45 g/mol. Its IUPAC name is 1-[4-[6-[(4-methyl-2-pyridinyl)amino]pyrimidin-4-yl]piperazin-1-yl]-2-pyrimidin-2-yloxyethanone.

Molecular Properties

Compound Name1-[4-[6-[(4-methyl-2-pyridinyl)amino]pyrimidin-4-yl]piperazin-1-yl]-2-pyrimidin-2-yloxyethanone
PubChem CID122349377
Molecular FormulaC20H22N8O2
Molecular Weight406.45 g/mol
Exact Mass406.19
IUPAC Name1-[4-[6-[(4-methyl-2-pyridinyl)amino]pyrimidin-4-yl]piperazin-1-yl]-2-pyrimidin-2-yloxyethanone
SMILESCc1ccnc(Nc2cc(N3CCN(C(=O)COc4ncccn4)CC3)ncn2)c1
InChIInChI=1S/C20H22N8O2/c1-15-3-6-21-16(11-15)26-17-12-18(25-14-24-17)27-7-9-28(10-8-27)19(29)13-30-20-22-4-2-5-23-20/h2-6,11-12,14H,7-10,13H2,1H3,(H,21,24,25,26)
InChIKeyBNMATQKLODPFRM-UHFFFAOYSA-N
XLogP1.44
TPSA109.26 Ų
H-Bond Donors1
H-Bond Acceptors9
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500406.45
LogP ≤ 51.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 109

Analyze 1-[4-[6-[(4-methyl-2-pyridinyl)amino]pyrimidin-4-yl]piperazin-1-yl]-2-pyrimidin-2-yloxyethanone with MolForge

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Related Compounds

2-(4-methoxyphenoxy)-1-[4-[6-[(4-methyl-2-pyridinyl)amino]pyrimidin-4-yl]piperazin-1-yl]ethanone
CID 122349495
2-(2,4-dichlorophenoxy)-1-[4-[6-[(4-methyl-2-pyridinyl)amino]pyrimidin-4-yl]piperazin-1-yl]ethanone
CID 122349361
3-methyl-1-[4-[6-[(4-methyl-2-pyridinyl)amino]pyrimidin-4-yl]piperazin-1-yl]butan-1-one
CID 122349311
3,3,3-trifluoro-1-[4-[6-[(4-methyl-2-pyridinyl)amino]pyrimidin-4-yl]piperazin-1-yl]propan-1-one
CID 122349602
2-(2-methylphenoxy)-1-[4-[6-(pyridin-2-ylamino)pyrimidin-4-yl]piperazin-1-yl]ethanone
CID 122349075
2-cyclopentyl-1-[4-[6-[(4-methyl-2-pyridinyl)amino]pyrimidin-4-yl]piperazin-1-yl]ethanone
CID 122349489
1-[4-[2-methyl-6-[(4-methyl-2-pyridinyl)amino]pyrimidin-4-yl]piperazin-1-yl]-2-(4-methylphenoxy)ethanone
CID 122350326
N-methyl-N-[2-[4-[6-[(4-methyl-2-pyridinyl)amino]pyrimidin-4-yl]piperazin-1-yl]-2-oxoethyl]methanesulfonamide
CID 122349538
(2-methoxyphenyl)-[4-[6-[(4-methyl-2-pyridinyl)amino]pyrimidin-4-yl]piperazin-1-yl]methanone
CID 122349323
2-(1H-indol-3-yl)-1-[4-[6-[(4-methyl-2-pyridinyl)amino]pyrimidin-4-yl]piperazin-1-yl]ethanone
CID 122349364
2-(4-fluorophenoxy)-1-[4-[6-(pyridin-2-ylamino)pyrimidin-4-yl]piperazin-1-yl]ethanone
CID 122349079
1-[4-[6-(3,5-dimethylpyrazol-1-yl)pyrimidin-4-yl]piperazin-1-yl]-2-pyrimidin-2-yloxyethanone
CID 121086767

Frequently Asked Questions

What is the IUPAC name of 1-[4-[6-[(4-methyl-2-pyridinyl)amino]pyrimidin-4-yl]piperazin-1-yl]-2-pyrimidin-2-yloxyethanone?
The IUPAC name of 1-[4-[6-[(4-methyl-2-pyridinyl)amino]pyrimidin-4-yl]piperazin-1-yl]-2-pyrimidin-2-yloxyethanone (CID 122349377) is 1-[4-[6-[(4-methyl-2-pyridinyl)amino]pyrimidin-4-yl]piperazin-1-yl]-2-pyrimidin-2-yloxyethanone.
What is the SMILES notation for 1-[4-[6-[(4-methyl-2-pyridinyl)amino]pyrimidin-4-yl]piperazin-1-yl]-2-pyrimidin-2-yloxyethanone?
The canonical SMILES for 1-[4-[6-[(4-methyl-2-pyridinyl)amino]pyrimidin-4-yl]piperazin-1-yl]-2-pyrimidin-2-yloxyethanone is Cc1ccnc(Nc2cc(N3CCN(C(=O)COc4ncccn4)CC3)ncn2)c1.
What is the InChIKey of 1-[4-[6-[(4-methyl-2-pyridinyl)amino]pyrimidin-4-yl]piperazin-1-yl]-2-pyrimidin-2-yloxyethanone?
The InChIKey is BNMATQKLODPFRM-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H22N8O2/c1-15-3-6-21-16(11-15)26-17-12-18(25-14-24-17)27-7-9-28(10-8-27)19(29)13-30-20-22-4-2-5-23-20/h2-6,11-12,14H,7-10,13H2,1H3,(H,21,24,25,26).
What are the key properties of 1-[4-[6-[(4-methyl-2-pyridinyl)amino]pyrimidin-4-yl]piperazin-1-yl]-2-pyrimidin-2-yloxyethanone?
1-[4-[6-[(4-methyl-2-pyridinyl)amino]pyrimidin-4-yl]piperazin-1-yl]-2-pyrimidin-2-yloxyethanone has a molecular weight of 406.45 g/mol, XLogP of 1.44, 6 rotatable bonds, 1 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-[6-[(4-methyl-2-pyridinyl)amino]pyrimidin-4-yl]piperazin-1-yl]-2-pyrimidin-2-yloxyethanone is sourced from PubChem (CID 122349377), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).