[6-(3-methoxyanilino)pyrimidin-4-yl]-(4-pyridin-2-ylpiperazin-1-yl)methanone

C21H22N6O2 — CID 109353170

IUPAC[6-(3-methoxyanilino)pyrimidin-4-yl]-(4-pyridin-2-ylpiperazin-1-yl)methanone
SMILESCOc1cccc(Nc2cc(C(=O)N3CCN(c4ccccn4)CC3)ncn2)c1
InChIInChI=1S/C21H22N6O2/c1-29-17-6-4-5-16(13-17)25-19-14-18(23-15-24-19)21(28)27-11-9-26(10-12-27)20-7-2-3-8-22-20/h2-8,13-15H,9-12H2,1H3,(H,23,24,25)
InChIKeyHYQAQDPOTOPCLD-UHFFFAOYSA-N
MW390.45 g/mol
LogP2.59
Rot. Bonds5

About [6-(3-methoxyanilino)pyrimidin-4-yl]-(4-pyridin-2-ylpiperazin-1-yl)methanone

[6-(3-methoxyanilino)pyrimidin-4-yl]-(4-pyridin-2-ylpiperazin-1-yl)methanone (PubChem CID 109353170) has the molecular formula C21H22N6O2 and a molecular weight of 390.45 g/mol. Its IUPAC name is [6-(3-methoxyanilino)pyrimidin-4-yl]-(4-pyridin-2-ylpiperazin-1-yl)methanone.

Molecular Properties

Compound Name[6-(3-methoxyanilino)pyrimidin-4-yl]-(4-pyridin-2-ylpiperazin-1-yl)methanone
PubChem CID109353170
Molecular FormulaC21H22N6O2
Molecular Weight390.45 g/mol
Exact Mass390.18
IUPAC Name[6-(3-methoxyanilino)pyrimidin-4-yl]-(4-pyridin-2-ylpiperazin-1-yl)methanone
SMILESCOc1cccc(Nc2cc(C(=O)N3CCN(c4ccccn4)CC3)ncn2)c1
InChIInChI=1S/C21H22N6O2/c1-29-17-6-4-5-16(13-17)25-19-14-18(23-15-24-19)21(28)27-11-9-26(10-12-27)20-7-2-3-8-22-20/h2-8,13-15H,9-12H2,1H3,(H,23,24,25)
InChIKeyHYQAQDPOTOPCLD-UHFFFAOYSA-N
XLogP2.59
TPSA83.48 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500390.45
LogP ≤ 52.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

[6-(3-methoxyanilino)pyrimidin-4-yl]-(4-methylpiperazin-1-yl)methanone
CID 109345181
3-[[6-(4-pyridin-2-ylpiperazine-1-carbonyl)pyrimidin-4-yl]amino]benzonitrile
CID 109353175
N-(3-methoxyphenyl)-3-oxo-3-(4-pyridin-2-ylpiperazin-1-yl)propanamide
CID 108950907
2-[[6-(4-pyridin-2-ylpiperazine-1-carbonyl)pyrimidin-4-yl]amino]benzonitrile
CID 109353174
6-(3-methoxyanilino)-N-phenylpyrimidine-4-carboxamide
CID 109355832
[4-(3-methoxyanilino)-2-pyridinyl]-(4-methylpiperazin-1-yl)methanone
CID 109208164
N-(3-methoxyphenyl)-2-(4-pyridin-2-ylpiperazin-1-yl)acetamide
CID 5014292
4-[6-(4-pyridin-2-ylpiperazin-1-yl)pyrimidine-4-carbonyl]piperazine-1-carbaldehyde
CID 109345747
methyl 3-[[6-(4-formylpiperazine-1-carbonyl)pyrimidin-4-yl]amino]benzoate
CID 109345821
[6-(4-methylanilino)pyrimidin-4-yl]-(4-pyrimidin-2-ylpiperazin-1-yl)methanone
CID 109353234
(6-anilinopyridazin-3-yl)-(4-pyridin-2-ylpiperazin-1-yl)methanone
CID 109124157
N-[3-[[6-(azepane-1-carbonyl)pyrimidin-4-yl]amino]phenyl]acetamide
CID 109355648

Frequently Asked Questions

What is the IUPAC name of [6-(3-methoxyanilino)pyrimidin-4-yl]-(4-pyridin-2-ylpiperazin-1-yl)methanone?
The IUPAC name of [6-(3-methoxyanilino)pyrimidin-4-yl]-(4-pyridin-2-ylpiperazin-1-yl)methanone (CID 109353170) is [6-(3-methoxyanilino)pyrimidin-4-yl]-(4-pyridin-2-ylpiperazin-1-yl)methanone.
What is the SMILES notation for [6-(3-methoxyanilino)pyrimidin-4-yl]-(4-pyridin-2-ylpiperazin-1-yl)methanone?
The canonical SMILES for [6-(3-methoxyanilino)pyrimidin-4-yl]-(4-pyridin-2-ylpiperazin-1-yl)methanone is COc1cccc(Nc2cc(C(=O)N3CCN(c4ccccn4)CC3)ncn2)c1.
What is the InChIKey of [6-(3-methoxyanilino)pyrimidin-4-yl]-(4-pyridin-2-ylpiperazin-1-yl)methanone?
The InChIKey is HYQAQDPOTOPCLD-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H22N6O2/c1-29-17-6-4-5-16(13-17)25-19-14-18(23-15-24-19)21(28)27-11-9-26(10-12-27)20-7-2-3-8-22-20/h2-8,13-15H,9-12H2,1H3,(H,23,24,25).
What are the key properties of [6-(3-methoxyanilino)pyrimidin-4-yl]-(4-pyridin-2-ylpiperazin-1-yl)methanone?
[6-(3-methoxyanilino)pyrimidin-4-yl]-(4-pyridin-2-ylpiperazin-1-yl)methanone has a molecular weight of 390.45 g/mol, XLogP of 2.59, 5 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for [6-(3-methoxyanilino)pyrimidin-4-yl]-(4-pyridin-2-ylpiperazin-1-yl)methanone is sourced from PubChem (CID 109353170), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).